SCM Publications

Capability of deep learning to predict recoil protons for neutron dosimetry with Fluorescent Nuclear Track Detectors
Thai, L.-Y. J.; Schmidt, S.; Walter, A.; Häcker, R. V.; Giske, K.; Vedelago, J.
2026. Radiation Measurements, 193, Art.-Nr.: 107662. doi:10.1016/j.radmeas.2026.107662

Experimentelle Untersuchung der nicht-vorgemischten Ammoniakverbrennung in porösen inerten Medien
Kretzler, D.; Puri, R.; Bock-Seefeld, B.; Stelzner, B.; Zirwes, T.; Brachhold, N.; Aneziris, C. G.
2026, March 5. Jahrestreffen der DECHEMA Fachgruppe Hochtemperaturtechnik (2026), Renningen, Germany, March 4–5, 2026

Experimental and numerical investigation of non-premixed ammonia flames stabilized on a heated slot burner
Kretzler, D.; Rishabh, P.; Stelzner, B.; Zirwes, T.; Hagen, F. P.; Stein, O. T.; Trimis, D.
2025, April 8. 12th European Combustion Meeting (ECM 2025), Edinburgh, United Kingdom, April 7–10, 2025

A Parallel, Energy-Stable Low-Rank Integrator for Nonlinear Multi-Scale Thermal Radiative Transfer
Patwardhan, C.; Kusch, J.
2026. Journal of Computational and Theoretical Transport, 1–45. doi:10.1080/23324309.2026.2618786

Measuring attitudes toward responsible AI in engineering – development and validation of the RAISE scale
Mirsch, M.; Knoth, N.; Schultz, B.; Bata, K.; Schleiss, J.; Carmen, L.-S.
2026. European Journal of Engineering Education, 1–23. doi:10.1080/03043797.2026.2620482

Version 8 IMK/IAA MIPAS measurements of ClO
Glatthor, N.; von Clarmann, T.; Grabowski, U.; Kellmann, S.; Kiefer, M.; Laeng, A.; Linden, A.; Stiller, G. P.; Funke, B.; García-Comas, M.; López-Puertas, M.; Kirner, O.; Santee, M. L.
2026. Atmospheric Measurement Techniques, 19 (2), 629–657. doi:10.5194/amt-19-629-2026

Direct pore-level simulation of ammonia combustion in multi-zone porous media burners
Puri, R.; Zirwes, T.; Stein, O. T.
2025, October 15. 20th International Conference on Numerical Combustion (ICNC 2025), Rome, Italy, October 14–17, 2025

Bayesian experimental design in production engineering: a comprehensive performance and robustness study
Leyendecker, L.; Gonzalez Degetau, A. M.; Bata, K.; Emonts, J.; Schmitz, A.; Schmitt, R. H.
2026. Frontiers in Manufacturing Technology, 5, 1614335. doi:10.3389/fmtec.2025.1614335

Reproducibility Report for SC25 Paper FaSTCC: Fast Sparse Tensor Contractions on CPUs
Koch, M.
2025. SC’ 25: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, 2318, Association for Computing Machinery (ACM). doi:10.1145/3712285.3769447

Analysing artificial neural networks in high school mathematics education
Kindler, S.; Schönbrodt, S.; Frank, M.
2025. Towards Fostering AI and Data Science Literacy in Schools Across Disciplines: Proceedings of the 1st Symposium on Integrating AI and Data Science into School Education Across Disciplines (AIDEA1 2025). Ed.: S. Podworny & S. Schönbrodt

How students justify the usability of self-built machine learning models
Bata, K.; Schmitz, A.; Eichler, A.
2025. Proceedings of the Fourteenth Congress of the European Society for Research in Mathematics Education (CERME14), Bozen, 3rd - 8th February 2025

Investigating Matrix Repartitioning to Address the Over and Undersubscription Challenge for a GPU-Based CFD Solver
Olenik, G.; Koch, M.; Anzt, H.
2026. High Performance Computing – ISC High Performance 2025 International Workshops, Hamburg, Germany, June 10–13, 2025, Revised Selected Papers. Ed.: S. Neuwirth, 468–479, Springer Nature Switzerland. doi:10.1007/978-3-032-07612-0_36

Super-resolution reconstruction of scalar fields from the pyrolysis of pulverised biomass using deep learning
Shamooni, A.; Cheng, R.; Zirwes, T.; Stein, O. T.; Kronenburg, A.
2025. Proceedings of the Combustion Institute, 41, 105982. doi:10.1016/j.proci.2025.105982

Simulation of Plastics Pyrolysis in Fluidized Bed with a Lumped Reaction Kinetic Model
Li, M.; Zhang, F.; Tavakkol, S.; Zirwes, T.; Stein, O. T.; Stapf, D.
2025. Modelling and Experimental Characterization of Reactive Particle-Gas Systems. Editors: Otto von Guericke Universität Magdeburg und Ruhr Universität,2nd International Workshop on Reacting Particle-Gas Systems, Bochum, June 17th -18th , 2025, Magdeburg, 97–100. doi:http://dx.doi.org/10.25673/118928

Modeling of Plastic Pyrolysis
Zhang, F.; Li, M.; Tavakkol, S.; Zirwes, T.; Stapf, D.
2025. Proceedings Modelling and Experimental Characterization of Reactive Particle-Gas Systems. Editors: Otto von Guericke Universität Magdeburg und Ruhr Universität Bochum, 65–68. doi:10.25673/118928

Numerical analysis of fluid estimation for source terms in neutral particles simulation
Tang, Z.; Løvbak, E.; Koellermeier, J.; Samaey, G.
2025. arxiv. doi:10.48550/arXiv.2509.11883

An Investigation into the Distribution of Ratios of Particle Solver-based Likelihoods
Løvbak, E.; Krumscheid, S.
2025. arxiv. doi:10.48550/arXiv.2508.05303

2D implementation of Kinetic-diffusion Monte Carlo in Eiron
Lappi, O.; Løvbak, E.; Steel, T.; Samaey, G.
2025. arxiv. doi:10.48550/arXiv.2509.19140

Performance evaluation of mixed-precision Runge–Kutta methods for the solution of partial differential equations
Dravins, I.; Koch, M.; Griehl, V.; Kormann, K.
2025. The International Journal of High Performance Computing Applications. doi:10.1177/10943420251392963

Scalar product for the radiation of resonant modes
Paszkiewicz-Idzik, M.; Rebholz, L.; Rockstuhl, C.; Fernandez-Corbaton, I.
2025. Physical Review A, 112 (1), 013518. doi:10.1103/1rhp-ts2q

Super-resolution of turbulent velocity fields in two-way coupled particle-laden flows
Shamooni, A.; Cheng, R.; Zirwes, T.; Tofighian, H.; Stein, O. T.; Kronenburg, A.
2025. Physics of Fluids, 37 (9), Art.-Nr.: 093383. doi:10.1063/5.0288515

Encoder Decoder RNN Model for Cold Start Emissions
Mangipudi, M.; Denev, J. A.
2025, April 14. doi:10.5281/zenodo.15210392

Numerical Study on Tree Belt Impact on Wind Shear on Agricultural Land
Terziev, A.; Bode, F.; Zlateva, P.; Pichurov, G.; Ivanov, M.; Denev, J.; Stankov, B.
2025. Applied Sciences, 15 (13), Article no: 7450. doi:10.3390/app15137450

Intercomparison and validation of first GLORIA-B measurements of stratospheric and upper tropospheric long-lived tracers and photochemically active species
Wetzel, G.; Kleinert, A.; Johansson, S.; Friedl-Vallon, F.; Höpfner, M.; Ungermann, J.; Neubert, T.; Catoire, V.; Crevoisier, C.; Engel, A.; Gulde, T.; Jacquet, P.; Kirner, O.; Kretschmer, E.; Kulessa, T.; Laube, J. C.; Maucher, G.; Nordmeyer, H.; Piesch, C.; Preusse, P.; Retzlaff, M.; Schardt, G.; Schillings, J.; Schneider, H.; Schönfeld, A.; Schuck, T.; Woiwode, W.; Riese, M.; Braesicke, P.
2025. Atmospheric Measurement Techniques, 18 (21), 5873–5894. doi:10.5194/amt-18-5873-2025

Influence of dispersion length on volume-averaged simulations of ammonia/air combustion in porous media burners
Puri, R.; Kretzler, D.; Bock-Seefeld, B.; Stelzner, B.; Brachhold, N.; Hubálková, J.; Trimis, D.; Aneziris, C.; Stein, O. T.; Zirwes, T.
2025. Proceedings of the Combustion Institute, 41, 105856. doi:10.1016/j.proci.2025.105856

Experimental and numerical investigation of non-premixed ammonia flames stabilized on a heated slot burner
Kretzler, D.; Puri, R.; Stelzner, B.; Zirwes, T.; Hagen, F. P.; Stein, O. T.; Trimis, D.
2025. Proceedings of the Combustion Institute, 41, 105854. doi:10.1016/j.proci.2025.105854

bwRSE4HPC - better research software in Baden-Württemberg
Koch, M.; Hoerter, J.; Kempf, D.; Ulusoy, I.; Caspart, R.; Hunter, G.; Isensee, T.; Schrader, T.; Riedmiller, K.; Baer, A.
2025, September 23. 11th bwHPC Symposium (2025), Tübingen, Germany, September 23, 2025

Pore-resolved simulations of ammonia combustion in porous inert media
Puri, R.; Zirwes, T.; Stein, O. T.
2025. 32. Deutscher Flammentag, 15.-17. September 2025, Paderborn. doi:10.5445/IR/1000184969

From school mathematics to artificial neural networks: Developing a mathematical model to predict life expectancy
Kindler, S.; Schönbrodt, S.; Frank, M.
2023. Proceedings of the Thirteenth Congress of the European Society for Research in Mathematics Education. Ed.: P. Drijvers Hrsg.: Drijvers, Paul; Csapodi, Csaba; Palmér, Hanna; Gosztonyi, Katalin; Kónya, Eszter, 956–963, Alfréd Rényi Institute of Mathematics

Moderner Mathematikunterricht: Vermittlung der mathematischen Grundlagen künstlicher Neuronaler Netze
Kindler, S.; Schönbrodt, S.; Frank, M.
2024. Beiträge zum Mathematikunterricht 2024. Hrsg.: P. Ebers, 163–166, Verlag für wissenschaftliche Texte und Medien (WTM). doi:10.17877/DE290R-25009

Von der Schulmathematik zu künstlichen neuronalen Netzen
Kindler, S.; Schönbrodt, S.; Frank, M.
2023. Beiträge zum Mathematikunterricht 2022, Verlag für wissenschaftliche Texte und Medien (WTM). doi:10.17877/DE290R-23766

Modelling nanoparticle deposition rate in iron particle combustion
Hartmann, N.; Kronenburg, A.; Zirwes, T.; Märker, D.; Luu, T. D.; Stein, O. T.
2026. Fuel, 404, 136268. doi:10.1016/j.fuel.2025.136268

Prediction of Hazardous Gaseous Emissions from a Gasoline Engine during Cold Starts Using Machine Learning Methods
Mangipudi, M.; Denev, J. A.; Bockhorn, H.; Trimis, D.; Koch, T.; Debus, C.; Götz, M.; Zirwes, T.; Hagen, F. P.; Tofighian, H.; Wagner, U.; Braun, S.; Lanzer, T.; Knapp, S. M.
2025. SAE Technical Paper Series, 2025–01, SAE International. doi:10.4271/2025-01-0321

Data Cleaning in Mathematics Education: Teaching Statistical Methods of Outlier Detection
Eckert, J.; Schönbrodt, S.
2025. Towards Fostering AI and Data Science Literacy in Schools Across Disciplines. Proceedings of the 1st Symposium on Integrating AI and Data Science into School Education Across Disciplines (AIDEA1 2025), Salzburg, Austria. Ed.: S. Podworny

Unsupervised Machine Learning as Learning Content in Lower Secondary School
Bata, K.; Frank, M.
2025. 1st Symposium on Integrating AI and Data Science into School Education Across Disciplines (AIDEA1 2025), Salzburg, Austria, February 24–28, 2025

Developing a holistic AI literacy assessment matrix – Bridging generic, domain-specific, and ethical competencies
Knoth, N.; Decker, M.; Laupichler, M. C.; Pinski, M.; Buchholtz, N.; Bata, K.; Schultz, B.
2024. Computers and Education Open, 6, Art.-Nr.: 100177. doi:10.1016/j.caeo.2024.100177

Maschinelles Lernen lernen : Entwicklung und Erforschung einer Lehr-Lernumgebung in den Ingenieurwissenschaften
Bata, K.
2025. Springer Fachmedien Wiesbaden. doi:10.1007/978-3-658-47458-4

Wissenschaftliche Tools in der Hochschullehre mit bwJupyter
Hofmann, S.; Hörter, J.
2025, May 7

Domain Specific Language for Materials Modeling
Kondov, I.; Mejía, R. C.; Müller, M.; Pfisterer, N.; Sreenivasan, S.
2025. Computational Science – ICCS 2025 Workshops – 25th International Conference, Singapore, Singapore, July 7–9, 2025, Proceedings, Part III. Ed.: M. Paszynski, 221–236, Springer Nature Switzerland. doi:10.1007/978-3-031-97564-6_18

A scalar product for the radiation of resonant modes
Paszkiewicz-Idzik, M.; Rebholz, L.; Rockstuhl, C.; Fernandez-Corbaton, I.
2025. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000183419

How Do AI Educators Use Open Educational Resources? A Cross-Sectoral Case Study on OER for AI Education
Rampelt, F.; Ruppert, R.; Schleiss, J.; Mah, D.-K.; Bata, K.; Egloffstein, M.
2025. Open Praxis, 17 (1), 46 – 63. doi:10.55982/openpraxis.17.1.766

Deep Learning for Radiotherapy: Target Volume Segmentation and Dynamical Low-Rank Training. PhD dissertation
Walter, A.
2025, June 12. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000182310

Entwicklung von computergestützten Lehr- und Lernmaterialien für einen realitätsbezogenen Mathematikunterricht zum Kontext Sprachverarbeitung. PhD dissertation
Hofmann, S.
2025, June 5. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000182142

Influence of dispersion length for volume-averaged simulations of ammonia/air combustion in porous media burners
Puri, R.; Kretzler, D.; Bock-Seefeld, B.; Stelzner, B.; Brachhold, N.; Hubálková, J.; Trimis, D.; Aneziris, C.; Stein, O. T.; Zirwes, T.
2025, April 8. 12th European Combustion Meeting (ECM 2025), Edinburgh, United Kingdom, April 7–10, 2025

Predicting NOx emissions from porous media burners using physics-informed graph neural networks
Puri, R.; Stein, O. T.; Zirwes, T.
2025. Proceedings of the 35th Parallel CFD International Conference 2024, 35th Parallel CFD International Conference 2024, ParCFD 2024, Bonn, Germany, 2 Sep 2024 - 4 Sep 2024, Forschungszentrum Jülich GmbH. doi:10.34734/FZJ-2025-02463

Numerical Methods and Machine Learning for Prompt-Gamma Neutron Activation Analysis. PhD dissertation
Jesser, A.
2025, May 22. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000181887

Predicting NOx emissions from porous media burners using physics-informed graph neural networks
Puri, R.; Stein, O. T.; Zirwes, T.
2024, September 2. 35th Parallel Computational Fluid Dynamics (ParCFD 2024), Bonn, Germany, September 2–4, 2024

Numerical Analysis of Nanoparticle Dynamics and Deposition in Iron Particle Combustion
Hartmann, N.; Märker, D.; Luu, T. D.; Zirwes, T.; Kronenburg, A.; Stein, O. T.
2024, November. 2nd Metal-enabled Cycle of Renewable Energy (MeCRE 2024), Darmstadt, Germany, November 13–15, 2024

Light propagation in free-form dielectric waveguides: a modal perspective. PhD dissertation
Paszkiewicz-Idzik, M. B.
2025, May 16. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000181775

Structure-preserving neural networks for the regularized entropy-based closure of a linear, kinetic, radiative transport equation
Schotthöfer, S.; Laiu, M. P.; Frank, M.; Hauck, C. D.
2025. Journal of Computational Physics, 533, 113967. doi:10.1016/j.jcp.2025.113967

Mathematische Grundlagen des Data Cleanings
Eckert, J.; Schönbrodt, S.
2024. Beiträge zum Mathematikunterricht 2024: 57. Jahrestagung der Gesellschaft für Didaktik der Mathematik .vom 04.03.2024 bis 08.03.2024 in Essen. Hrsg.: P. Ebers, F. Rösken, B. Barzel, A. Büchter, F. Schacht & P. Scherer, Gesellschaft für Didaktik der Mathematik (GDM). doi:10.17877/DE290R-25151

Asymptotic-Preserving and Energy Stable Dynamical Low-Rank Approximation for Thermal Radiative Transfer Equations
Frank, M.; Kusch, J.; Patwardhan, C.
2025. Multiscale Modeling & Simulation, 23 (1), 278–312. doi:10.1137/24M1646303

Improving Efficiency of Parallel Across the Method Spectral Deferred Corrections
Čaklović, G.; Lunet, T.; Götschel, S.; Ruprecht, D.
2025. SIAM Journal on Scientific Computing, 47 (1), A430 – A453. doi:10.1137/24M1649800

A parallel, energy-stable low-rank integrator for nonlinear multi-scale thermal radiative transfer
Patwardhan, C.; Kusch, J.
2025. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000179911

Towards Unifying Anatomy Segmentation: Automated Generation of a Full-Body CT Dataset
Jaus, A.; Seibold, C.; Hermann, K.; Shahamiri, N.; Walter, A.; Giske, K.; Haubold, J.; Kleesiek, J.; Stiefelhagen, R.
2024. 2024 IEEE International Conference on Image Processing (ICIP), Abu Dhabi, 27th-30th October 2024, 41–47, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ICIP51287.2024.10647307

Project 04: Replacement of chemistry simulation by machine learning in an Earth system model (doctoral position, employment at KIT)
kirner, oliver
2025. (M. Frank, U. Ehret & A. Hühnerfuß, Eds.)

TotalSegmentator MRI: Robust Sequence-independent Segmentation of Multiple Anatomic Structures in MRI
Akinci D’Antonoli, T.; Berger, L. K.; Indrakanti, A. K.; Vishwanathan, N.; Weiss, J.; Jung, M.; Berkarda, Z.; Rau, A.; Reisert, M.; Küstner, T.; Walter, A.; Merkle, E. M.; Boll, D. T.; Breit, H.-C.; Nicoli, A. P.; Segeroth, M.; Cyriac, J.; Yang, S.; Wasserthal, J.
2025. Radiology, 314 (2). doi:10.1148/radiol.241613

Enhancement of the photon pair generation rate in bent waveguides
Paszkiewicz, M.; Sipe, J. E.; Rockstuhl, C.
2024. M. A. Kahan & C. Merrill (Eds.), Optical Modeling and Performance Predictions XIV, Art.-Nr.: 131290R, SPIE. doi:10.1117/12.3026907

Optimizing the trajectories of freeform waveguides using a modal theory
Paszkiewicz, M.; Sukhova, M.; Dörfler, W.; Rockstuhl, C.
2024. D. G. Smith & A. Erdmann (Eds.), Computational Optics 2024, Ed.: D. Smith, A. Erdmann, Art.-Nr.: PC1302305, SPIE. doi:10.1117/12.3014421

TotalSegmentator MRI: Sequence-Independent Segmentation of 59 Anatomical Structures in MR images
D’Antonoli, T. A.; Berger, L. K.; Indrakanti, A. K.; Vishwanathan, N.; Weiß, J.; Jung, M.; Berkarda, Z.; Rau, A.; Reisert, M.; Küstner, T.; Walter, A.; Merkle, E. M.; Segeroth, M.; Cyriac, J.; Yang, S.; Wasserthal, J.
2024. arxiv. doi:10.48550/arXiv.2405.19492

A scalar product for the radiation of resonant modes
Paszkiewicz, M.; Rebholz, L.; Rockstuhl, C.; Fernandez-Corbaton, I.
2024. arxiv. doi:10.48550/arXiv.2411.02892

Enhancement of the photon pair generation rate by spontaneous four-wave mixing in bent waveguides
Paszkiewicz, M.; Rockstuhl, C.
2024. arxiv. doi:10.48550/arXiv.2407.10643

Numerical Robustness of PINNs for Multiscale Transport Equations
Jesser, A.; Krycki, K.; McClarren, R. G.; Frank, M.
2024. arxiv. doi:10.48550/arXiv.2412.14683

Accuracy of an articulated head-and-neck motion model using deep learning-based instance segmentation of skeletal bones in CT scans for image registration in radiotherapy
Walter, A.; Bauer, C. J.; Yawson, A. K.; Hoegen-Saßmannshausen, P.; Adeberg, S.; Debus, J.; Jäkel, O.; Frank, M.; Giske, K.
2025. Computer Methods in Biomechanics and Biomedical Engineering: Imaging & Visualization, 13 (1), 2455752. doi:10.1080/21681163.2025.2455752

Enhancement of the photon pair generation rate by spontaneous four-wave mixing in bent waveguides
Paszkiewicz, M.; Rockstuhl, C.
2025. Physical Review A, 111 (1), Art.-Nr.: 013507. doi:10.1103/PhysRevA.111.013507

Low-rank variance reduction for uncertain radiative transfer with control variates
Patwardhan, C.; Stammer, P.; Løvbak, E.; Kusch, J.; Krumscheid, S.
2025. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000178192

A conditional deep learning model for super-resolution reconstruction of small-scale turbulent structures in particle-Laden flows
Tofighian, H.; Denev, J. A.; Kornev, N.
2024. Physics of Fluids, 36 (11), Art.-Nr.: 115173. doi:10.1063/5.0235192

Flow characteristics at the interface during droplet formation in a flow-focusing microfluidic channel—numerical analysis of dripping and jetting regimes
Grigorov, E.; Denev, J. A.; Kirov, B.; Galabov, V.
2024. Acta Mechanica, 235 (10), 6057–6075. doi:10.1007/s00707-024-04031-9

Loss Prediction and 3D Trajectory Design of Photonic Wire Bonds using Artificial Neural Networks (ANN)
Bao, Y.; Paszkiewicz, M.; Krimmer, J.; Freude, W.; Randel, S.; Rockstuhl, C.; Koos, C.
2024. Conference on Lasers and Electro-Optics: Science and Innovations 2024 (CLEO), Charlotte, USA, May 5th-10th 2024, Art.-Nr.: SM1I.3, Optica Publishing Group (OSA). doi:10.1364/CLEO_SI.2024.SM1I.3

Structure Preserving Neural Networks: A Case Study in the Entropy Closure of the Boltzmann Equation
Schotthöfer, S.; Xiao, T.; Frank, M.; Hauck, C.
2022. 39th International Conference on Machine Learning, ICML 2022 Baltimore17 July 2022through 23 July 2022. Ed.: K. Chaudhuri, 19406–19433

Solving stationary nonlinear Fokker-Planck equations via sampling
Li, L.; Tang, Y.; Zhang, J.
2025. SIAM journal on applied mathematics, 85 (1), 249–277. doi:10.1137/23M1616054

Numerical Simulation of Thermal Decomposition of Polyethylene with a Single-Particle Model
Zhang, F.; Cao, J.; Zirwes, T.; Netsch, N.; Tavakkol, S.; Zhang, R.; Bockhorn, H.; Stapf, D.
2024. Advances in Computational Heat and Mass Transfer – Proceedings of the 14th International Conference on Computational Heat and Mass Transfer (ICCHMT 2023), 4-8 September, 2023, Düsseldorf, Germany, Volume 1. Ed.: A. Benim, 180 – 191, Springer International Publishing. doi:10.1007/978-3-031-67241-5_17

Carrier-phase direct numerical simulation and flamelet modeling of NO formation in a pulverized coal/ammonia co-firing flame
Wen, X.; Shamooni, A.; Zirwes, T.; Stein, O. T.; Kronenburg, A.; Hasse, C.
2024. Combustion and Flame, 269, 113722. doi:10.1016/j.combustflame.2024.113722

Ginkgo - A math library designed to accelerate Exascale Computing Project science applications
Cojean, T.; Nayak, P.; Ribizel, T.; Beams, N.; Mike Tsai, Y.-H.; Koch, M.; Göbel, F.; Grützmacher, T.; Anzt, H.
2024. The International Journal of High Performance Computing Applications. doi:10.1177/10943420241268323

Model Fusion via Neuron Transplantation
Öz, M.; Kiefer, N.; Debus, C.; Hörter, J.; Streit, A.; Götz, M.
2024. Machine Learning and Knowledge Discovery in Databases. Research Track : European Conference, ECML PKDD 2024, Vilnius, Lithuania, September 9–13, 2024, Proceedings, Part IV. Ed. by Albert Bifet, Jesse Davis, Tomas Krilavičius, Meelis Kull, Eirini Ntoutsi, Indrė Žliobaitė, 3–19, Springer Nature Switzerland. doi:10.1007/978-3-031-70359-1_1

Three-dimensional effects on the local and global structure of thermo-diffusive instabilities in premixed hydrogen flames
Zirwes, T.; Zhang, F.; Kaiser, T. L.; Eckart, S.; Oberleithner, K.; Stein, O. T.; Bockhorn. H.
2023, September. 31. Deutscher Flammentag (2023), Berlin, Germany, September 27–28, 2023

Maschinelles Lernen im Schulunterricht am Beispiel einer problemorientierten Lerneinheit zur Wortvorhersage
Hofmann, S.; Frank, M.
2023. 56. Jahrestagung der Gesellschaft für Didaktik der Mathematik, 157–160, WTM Verlag für wissenschaftliche Texte und Medien. doi:10.17877/DE290R-23317

Projektkurs für Mädels: Mit Mathe und KI reale Probleme lösen
Hofmann, S.; Schönbrodt, S.
2024. Mitteilungen der Deutschen Mathematiker-Vereinigung, 32 (2), 124–126. doi:10.1515/dmvm-2024-0037

Wortvorschläge beim Chatten : KI und natürliche Sprachverarbeitung im Stochastikunterricht
Hofmann, S.; Frank, M.
2024. Mathematik lehren, (244), 24–29

Carrier-phase direct numerical simulation and flamelet modeling of alkali metal emissions from pulverized biomass flames
Shamooni, A.; Wen, X.; Debiagi, P.; Stagni, A.; Gärtner, J. W.; Zirwes, T.; Stein, O. T.; Hasse, C.; Kronenburg, A.
2024. Proceedings of the Combustion Institute, 40 (1-4), 105309. doi:10.1016/j.proci.2024.105309

On the importance of turbulence modelling in a linear mean field analysis of turbulent flame configurations
Kaiser, T. L.; Zirwes, T.; Zhang, F.; Oberleithner, K.
2024, May. 19th International Conference on Numerical Combustion (ICNC 2024), Kyoto, Japan, May 7–10, 2024

Turbulence closure in linearized analyses of non-uniform density flows
Kaiser, T. L.; Zirwes, T.; Zhang, F.; Oberleithner, K.
2024, June. ERCOFTAC SIG39 Symposium-Coherent Structures in Aeroacoustics (2024), Rome, Italy, June 10–12, 2024

Simulation of plastic pyrolysis in fluidized bed
Zhang, F.; Tavakkol, S.; Zirwes, T.; Stapf, D.
2024, May. 24th International Symposium on Analytical and Applied Pyrolysis (Pyro 2024), Beijing, China, May 19–23, 2024

Structure and Dynamics of Hexagonal Cells in H/CO Flames
Zirwes, T.; Eckart, S.; Zhang, F.; Kaiser, T. L.; Oberleithner, K.; Stein, O. T.; Bockhorn, H.; Kronenburg, A.
2024, July. 40th International Symposium "Emphazing Energy Transition" (CI’S 2024), Milan, Italy, July 21–26, 2024

The role of thermodiffusion and dimensionality in the formation of cellular instabilities in hydrogen flames
Zirwes, T.; Zhang, F.; Kaiser, T. L.; Oberleithner, K.; Stein, O. T.; Bockhorn, H.; Kronenburg, A.
2024, July. 40th International Symposium "Emphazing Energy Transition" (CI’S 2024), Milan, Italy, July 21–26, 2024

The role of thermodiffusion and dimensionality in the formation of cellular instabilities in hydrogen flames
Zirwes, T.; Zhang, F.; Kaiser, T. L.; Oberleithner, K.; Stein, O. T.; Bockhorn, H.; Kronenburg, A.
2024. Proceedings of the Combustion Institute, 40 (1-4), Art.-Nr.: 105665. doi:10.1016/j.proci.2024.105665

Structure and dynamics of hexagonal cells in H/CO flames
Zirwes, T.; Eckart, S.; Zhang, F.; Kaiser, T. L.; Oberleithner, K.; Stein, O. T.; Bockhorn, H.; Kronenburg, A.
2024. Proceedings of the Combustion Institute, 40 (1-4), 105332. doi:10.1016/j.proci.2024.105332

Towards a platform-portable linear algebra backend for OpenFOAM
Olenik, G.; Koch, M.; Boutanios, Z.; Anzt, H.
2025. Meccanica, 60 (6), 1659–1672. doi:10.1007/s11012-024-01806-1

The MIPAS global climatology of BrONO2 2002–2012 in comparison to EMAC model data
Höpfner, M.; Kirner, O.; Wetzel, G.; Sinnhuber, B.-M.; Haenel, F.; Johansson, S.; Orphal, J.; Ruhnke, R.; Stiller, G.; Clarmann, T.
2023. doi:10.35097/1484

Physics Informed Neural Networks for Neutron Transport in Large Sample Prompt Gamma Activation Analysis
Jesser, A.; Krycki, K.
2024, April 10. Mashine Learning Conference for X-Ray and Neutron-Based Experiments (2024), Garching bei München, Germany, April 8–10, 2024

Numerical solution of a parameter estimation problem arising in Prompt-Gamma Neutron Activation Analysis
Jesser, A.; Krycki, K.; Frank, M.
2024. Applied Mathematics in Science and Engineering, 32 (1), Article no: 2336170. doi:10.1080/27690911.2024.2336170

Effects of Intrinsic Instabilities on the Response of Premixed Hydrogen/Air Conical Flames to Inlet Flow Perturbations
Yang, L.; Wang, Y.; Zirwes, T.; Zhang, F.; Bockhorn, H.; Chen, Z.
2024. Flow, Turbulence and Combustion, 112 (4), 1275–1297. doi:10.1007/s10494-024-00535-5

Assessment of dynamic characteristics of fluidized beds via numerical simulations
Zhang, F.; Tavakkol, S.; Dercho, S.; Zhou, J.; Zirwes, T.; Zeller, M.; Vogt, J.; Zhang, R.; Bockhorn, H.; Stapf, D.
2024. Physics of Fluids, 36 (2), Art.-Nr.: 023348. doi:10.1063/5.0189519

Approximation method for fast calculation of transmission in multi-mode waveguides
Paszkiewicz, M.; Sukhova, M.; Dörfler, W.; Rockstuhl, C.
2024. Journal of the Optical Society of America A: Optics and Image Science, and Vision, 41 (2), 174 – 184. doi:10.1364/JOSAA.504950

Asymptotic-preserving and energy stable dynamical low-rank approximation for thermal radiative transfer equations
Patwardhan, C.; Frank, M.; Kusch, J.
2024. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000168827

A parallel-in-time collocation method using diagonalization: theory and implementation for linear problems
Čaklović, G.; Speck, R.; Frank, M.
2023. Communications in Applied Mathematics and Computational Science, 18 (1), 55 – 85. doi:10.2140/camcos.2023.18.55

Numerical investigation of unsteady flame propagation assisted by low-temperature chemistry
Meier, R.; Zirwes, T.; Zhang, F.; Bockhorn, H.; Oliveira, A. A. M.
2024. Fuel, 364, Art.-Nr.: 130895. doi:10.1016/j.fuel.2024.130895

Segmentation of 71 Anatomical Structures Necessary for the Evaluation of Guideline-Conforming Clinical Target Volumes in Head and Neck Cancers
Walter, A.; Hoegen-Saßmannshausen, P.; Stanic, G.; Rodrigues, J. P.; Adeberg, S.; Jäkel, O.; Frank, M.; Giske, K.
2024. Cancers, 16 (2), Art.-Nr.: 415. doi:10.3390/cancers16020415

Essential parameters needed for a U-Net-based segmentation of individual bones on planning CT images in the head and neck region using limited datasets for radiotherapy application
Yawson, A. K.; Walter, A.; Wolf, N.; Klüter, S.; Hoegen, P.; Adeberg, S.; Debus, J.; Frank, M.; Jäkel, O.; Giske, K.
2024. Physics in Medicine & Biology, 69 (3), Art.-Nr.: 035008. doi:10.1088/1361-6560/ad1996

Rigidity of -harmonic maps of low degree
Hörter, J.; Lamm, T.; Micallef, M.
2023. Annali della Scuola Normale Superiore di Pisa - Classe di Scienze, 24 (4), 2269 – 2310. doi:10.2422/2036-2145.202201_002

A numerical study of a cold-mode fluidized bed reactor designed for pyrolysis of plastics
Zhang, F.; Tavakkol, S.; Dercho, S.; Bohlender, L.; Zirwes, T.; Zeller, M.; Vogt, J.; Stapf, D.
2023, September 28. 31. Deutscher Flammentag (2023), Berlin, Germany, September 27–28, 2023

An assessment of fluidized bed dynamics with CPFD simulations
Zhang, F.; Tavakkol, S.; Dercho, S.; Bohlender, L.; Zirwes, T.; Zeller, M.; Vogt, J.; Stapf, D.
2023, September 28. 31. Deutscher Flammentag (2023), Berlin, Germany, September 27–28, 2023

KiT-RT: An extendable framework for radiative transfer and therapy
Kusch, J.; Schotthöfer, S.; Stammer, P.; Wolters, J.; Xiao, T.
2023. ACM Transactions on Mathematical Software, 49 (4), Art.-Nr.: 38. doi:10.1145/3630001

Novel Approach for Passive Mixing in Microfluidics Utilizing Porous PDMS Sponge
Grigorov, E.; Kirov, B.; Denev, J. A.; Galabov, V.
2023. 2023 International Scientific Conference on Computer Science (COMSCI), Sozopol, 18th-20th September 2023, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/COMSCI59259.2023.10315880

VπLES- hybrid vortex and grid based method for simulation of turbulent flows at high Re numbers
Kornev, N.; Darji, J.; Tofighian, H.; Denev, J. A.
2023. Proceedings of the 10th International Conference on Vortex Flow Mechanics (ICVFM 2023)

Low-Cost Three-Dimensionally Printed Inverted Plug and Play Optical Instrument for Microfluidic Imaging
Markov, D.; Grigorov, E.; Kirov, B.; Denev, J. A.; Galabov, V.; Marinov, M. B.
2023. Micro, 3 (2), 537–548. doi:10.3390/micro3020036

A numerical study of a cold-mode fluidized bed reactor designed for pyrolysis of plastics
Zhang, F.; Tavakkol, S.; Dercho, S.; Bohlender, L.; Zirwes, T.; Zeller, M.; Vogt, J.; Stapf, D.
2023. 31. Deutscher Flammentag für Nachhaltige Verbrennung 2023, Berlin, 27. und 28. September 2023

ParaDiag and Collocation Methods: Theory and Implementation. PhD dissertation
Caklovic, G.
2023, November 28. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000164518

Numerical simulation of thermal decomposition of polyethylene with a single-particle model
Zhang, F.
2023. 14th International Conference on Computational Heat and Mass Transfer (ICCHMT 2023), Düsseldorf, Germany, September 4–8, 2023

An assessment of fluidized bed dynamics with CPFD simulations
Zhang, F.; Tavakkol, S.; Bohlender, L.; Dercho, S.; Zirwes, T.; Zeller, M.; Vogt, J.; Stapf, D.
2023. 31. Deutscher Flammentag

Correlation of wall heat loss with quenching distance for premixed H/Air flames during unsteady Flame-Wall interaction
Zhu, J.; Zirwes, T.; Zhang, F. C.; Li, Z. J.; Zhang, Y.; Pan, J. F.
2024. Chemical Engineering Science, 283, 119391. doi:10.1016/j.ces.2023.119391

Project 04: Replacement of physical PSC simulation by machine learning in an Earth system model
Kirner, O.; Meyer, J.; Streit, A.
2023. (U. Ehret, M. Frank & KIT-Zentrum MathSEE, Eds.)

An iterative methodology for REDIM reduced chemistry generation and its validation for partially-premixed combustion
Shrotriya, P.; Schießl, R.; Yu, C.; Bykov, V.; Zirwes, T.; Maas, U.
2023. Combustion Theory and Modelling, 1–34. doi:10.1080/13647830.2023.2260350

On the Stability of Robust Dynamical Low-Rank Approximations for Hyperbolic Problems
Kusch, J.; Einkemmer, L.; Ceruti, G.
2023. SIAM Journal on Scientific Computing, 45 (1), A1–A24. doi:10.1137/21M1446289

TURBOMOLE: Today and Tomorrow
Franzke, Y. J.; Holzer, C. H.; Andersen, J. H.; Begušić, T.; Bruder, F.; Coriani, S.; Della Sala, F.; Fabiano, E.; Fedotov, D. A.; Fürst, S.; Gillhuber, S.; Grotjahn, R.; Kaupp, M.; Kehry, M.; Krstić, M.; Mack, F.; Majumdar, S.; Nguyen, B. D.; Parker, S. M.; Pauly, F.; Pausch, A.; Perlt, E.; Phun, G. S.; Rajabi, A.; Rappoport, D.; Samal, B.; Schrader, T.; Sharma, M.; Tapavicza, E.; Treß, R. S.; Voora, V.; Wodyński, A.; Yu, J. M.; Zerulla, B.; Furche, F.; Hättig, C.; Sierka, M.; Tew, D. P.; Weigend, F.
2023. Journal of Chemical Theory and Computation, 19 (20), 6859–6890. doi:10.1021/acs.jctc.3c00347

Improving volume-averaged simulations of matrix-stabilized combustion through direct X-ray µCT characterization: Application to NH₃/H₂-air combustion
Zirwes, T.; Vignat, G.; Toro, E. R.; Boigné, E.; Younes, K.; Trimis, D.; Ihme, M.
2023. Combustion and Flame, 257 (2), Article no: 113020. doi:10.1016/j.combustflame.2023.113020

Predicting continuum breakdown with deep neural networks
Xiao, T.; Schotthöfer, S.; Frank, M.
2023. Journal of Computational Physics, 489, Art.-Nr.: 112278. doi:10.1016/j.jcp.2023.112278

A robust collision source method for rank adaptive dynamical low-rank approximation in radiation therapy
Kusch, J.; Stammer, P.
2023. ESAIM: Mathematical Modelling and Numerical Analysis, 57 (2), 865–891. doi:10.1051/m2an/2022090

Low-rank lottery tickets: finding efficient low-rank neural networks via matrix differential equations
Schotthöfer, S.; Zangrando, E.; Kusch, J.; Ceruti, G.; Tudisco, F.
2022. 36th Conference on Neural Information Processing Systems, NeurIPS 2022, Neural information processing systems foundation

Assessment of Numerical Accuracy and Parallel Performance of OpenFOAM and its Reacting Flow Extension EBIdnsFoam
Zirwes, T.; Sontheimer, M.; Zhang, F.; Abdelsamie, A.; Pérez, F. E. H.; Stein, O. T.; Im, H. G.; Kronenburg, A.; Bockhorn, H.
2023. Flow, Turbulence and Combustion, 111 (2), 567–602. doi:10.1007/s10494-023-00449-8

Fundamental research on pyrolysis of plastic wastes via numerical simulation
Zhang, F.; Tavakkol, S.; Zirwes, T.; Netsch, N.; Zeller, M.; Vogt, J.; Stapf, D.
2023, June 13. Helmholtz Energy Conference (2023), Koblenz, Germany, June 12–13, 2023

Klassifizierungsprobleme : Maschinelles Lernen und KI im Mathematikunterricht
Schönbrodt, S.; Frank, M.
2023. Beiträge zum Mathematikunterricht 2022, Gesellschaft für Didaktik der Mathematik (GDM). doi:10.17877/DE290R-23426

Synergies between Numerical Methods for Kinetic Equations and Neural Networks. PhD dissertation
Schotthöfer, S.
2023, June 5. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158838

Polynomial propagators for classical molecular dynamics
Kondov, I.
2023. arxiv. doi:10.48550/arXiv.2302.03516

Biofidelic image registration for head and neck region utilizing an in-silico articulated skeleton as a transformation model
Bauer, C. J.; Teske, H.; Walter, A.; Hoegen, P.; Adeberg, S.; Debus, J.; Jäkel, O.; Giske, K.
2023. Physics in Medicine and Biology, 68 (9), Art.-Nr.: 095006. doi:10.1088/1361-6560/acc7f1

A systematic analysis of chemical mechanisms for ethylene oxidation and PAH formation
Wang, Y.; Han, W.; Han, W.; Zirwes, T.; Attili, A.; Cai, L.; Bockhorn, H.; Yang, L.; Chen, Z.
2023. Combustion and Flame, 253, Art.-Nr.: 112784. doi:10.1016/j.combustflame.2023.112784

Modelling the response of a turbulent jet flame to acoustic forcing in a linearized framework using an active flame approach
Kaiser, T. L.; Varillon, G.; Polifke, W.; Zhang, F.; Zirwes, T.; Bockhorn, H.; Oberleithner, K.
2023. Combustion and Flame, 253, Art.-Nr.: 112778. doi:10.1016/j.combustflame.2023.112778

Effect of nozzle up-scaling on coaxial, gas-assisted atomization
Zhang, F.; Wachter, S.; Zirwes, T.; Jakobs, T.; Zarzalis, N.; Trimis, D.; Kolb, T.; Stapf, D.
2023. Physics of Fluids, 35 (4), Art.-Nr.: 043302. doi:10.1063/5.0141156

Uncertainty quantification and numerical methods in charged particle radiation therapy. PhD dissertation
Stammer, P.
2023, May 4. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000158316

A Flux Reconstruction Stochastic Galerkin Scheme for Hyperbolic Conservation Laws
Xiao, T.; Kusch, J.; Koellermeier, J.; Frank, M.
2023. Journal of Scientific Computing, 95 (1), 18. doi:10.1007/s10915-023-02143-3

Experimental and numerical investigation of flame stabilization and pollutant formation in matrix stabilized ammonia-hydrogen combustion
Vignat, G.; Zirwes, T.; Toro, E. R.; Younes, K.; Boigné, E.; Muhunthan, P.; Simitz, L.; Trimis, D.; Ihme, M.
2023. Combustion and Flame, 250, Article no: 112642. doi:10.1016/j.combustflame.2023.112642

Dynamical low-rank approximation for Marshak waves
Ceruti, G.; Frank, M.; Kusch, J.
2022. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000154134

Teaching data science in school: Digital learning material on predictive text systems
Hofmann, S.; Frank, M.
2022. Twelfth Congress of the European Society for Research in Mathematics Education (CERME12)

Erneuerbare Energien – Modellierung und Optimierung eines Solarkraftwerks
Schönbrodt, S.
2022. Neue Materialien für einen realitätsbezogenen Mathematikunterricht. Hrsg.: M. Frank, 15–69, Springer Spektrum. doi:10.1007/978-3-662-63647-3_3

Aufbau und Einsatzmöglichkeiten des Lehr- und Lernmaterials
Gerhard, M.; Hattebuhr, M.; Schönbrodt, S.; Wohak, K.
2022. Neue Materialien für einen realitätsbezogenen Mathematikunterricht. Hrsg.: M. Frank, 7–14, Springer Spektrum. doi:10.1007/978-3-662-63647-3_2

Einführung
Frank, M.; Roeckerath, C.; Schönbrodt, S.
2022. Neue Materialien für einen realitätsbezogenen Mathematikunterricht. Hrsg.: M. Frank, 1–6, Springer Spektrum. doi:10.1007/978-3-662-63647-3_1

Data Science and Machine Learning in mathematics education: Highschool students working on the Netflix Prize
Schönbrodt, S.; Frank, M.
2022. Twelfth Congress of the European Society for Research in Mathematics Education (CERME12), Feb 2022, Bozen-Bolzano, Italy

Combined effects of heat loss and curvature on turbulent flame-wall interaction in a premixed dimethyl ether/air flame
Kaddar, D.; Steinhausen, M.; Zirwes, T.; Bockhorn, H.; Hasse, C.; Ferraro, F.
2022. Proceedings of the Combustion Institute, 39 (2), 2199–2208. doi:10.1016/j.proci.2022.08.060

Flame-vortex interaction during turbulent side-wall quenching and its implications for flamelet manifolds
Steinhausen, M.; Zirwes, T.; Ferraro, F.; Scholtissek, A.; Bockhorn, H.; Hasse, C.
2022. Proceedings of the Combustion Institute, 39 (2), 2149–2158. doi:10.1016/j.proci.2022.09.026

Memory effects of local flame dynamics in turbulent premixed flames
Zirwes, T.; Zhang, F.; Bockhorn, H.
2022. Proceedings of the Combustion Institute, 39 (2), 2349–2358. doi:10.1016/j.proci.2022.07.187

Impact of carbon dioxide and nitrogen addition on the global structure of hydrogen flames
Eckart, S.; Pio, G.; Zirwes, T.; Zhang, F.; Salzano, E.; Krause, H.; Bockhorn, H.
2023. Fuel, 335, Art.-Nr.: 126929. doi:10.1016/j.fuel.2022.126929

4,4’-bis(carbazol-9-yl)biphenyl (CBP): beyond the single molecule picture using ab-initio methods. PhD dissertation
Cortés-Mejía, R.
2023, January 20. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000153721

Modeling of radiation heat transfer in dense-bed flows of solids in indirectly heated rotary kilns
Tavakkol, S.; Zirwes, T.; Denev, J. A.; Bockhorn, H.; Stapf, D.
2023. Thermal Science and Engineering Progress, 38, Article no: 101545. doi:10.1016/j.tsep.2022.101545

Correlation of heat loss with quenching distance during transient flame-Wall interaction
Zhang, F.; Zirwes, T.; Häber, T.; Bockhorn, H.; Trimis, D.; Suntz, R.; Stapf, D.
2022. Proceedings of the Combustion Institute, 39 (2), 2037–2045. doi:10.1016/j.proci.2022.10.010

Non-destructive Material Characterization of Waste Packages with QUANTOM - 22208
Herbell, H.; Coquard, L.; Hummel, J.; Nordhardt, G.; Veltkamp, T.; Havenith, A.; Krycki, K.; Fu, B.; Helmes, C.; Doemeland, M.; Heidner, M.; Simons, F.; Köble, T.; Schumann, O.; Jesser, A.
2022

Correlation of heat loss with quenching distance during transient flame-wall Interaction
Zhang, F.
2022, July. 39th International Symposium on Combustion (2022), Vancouver, Canada, July 24–29, 2022

Multivariate error modeling and uncertainty quantification using importance (re-)weighting for Monte Carlo simulations in particle transport
Stammer, P.; Burigo, L.; Jäkel, O.; Frank, M.; Wahl, N.
2023. Journal of Computational Physics, 473, Artkel-Nr.: 111725. doi:10.1016/j.jcp.2022.111725

Numerical simulations of air-assisted primary atomization at different air-to-liquid injection angles
Zhang, F.; Zirwes, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Kolb, T.; Bockhorn, H.; Stapf, D.
2023. International journal of multiphase flow, 158, Art.-Nr.: 104304. doi:10.1016/j.ijmultiphaseflow.2022.104304

Transformation-optics modeling of 3D-printed freeform waveguides
Nesic, A.; Blaicher, M.; Orlandini, E.; Olariu, T.; Paszkiewicz, M.; Negredo, F.; Kraft, P.; Sukhova, M.; Hofmann, A.; Dörfler, W.; Rockstuhl, C.; Freude, W.; Koos, C.
2022. Optics Express, 30 (21), 38856–38879. doi:10.1364/OE.452243

A low-rank power iteration scheme for neutron transport criticality problems
Kusch, J.; Whewell, B.; Whewell, B.; McClarren, R.
2022. Journal of Computational Physics, 470, 111587. doi:10.1016/j.jcp.2022.111587

Near-wall dynamics of premixed methane/air flames
Zhu, J.; Pan, J.; Zhang, F.; Zirwes, T.; Ojo, A. O.; Li, F.
2023. Fuel, 331, Art.Nr. 125774. doi:10.1016/j.fuel.2022.125774

Pt nanoparticles under oxidizing conditions – implications of particle size, adsorption sites and oxygen coverage on stability
Yohannes, A. G.; Fink, K.; Kondov, I.
2022. Nanoscale Advances, 4 (21), 4554–4569. doi:10.1039/D2NA00490A

Effects of low-temperature chemical reactions on ignition kernel development and flame propagation in a DME-air mixing layer
Wang, Y.; Han, W.; Zirwes, T.; Zhang, F.; Bockhorn, H.; Chen, Z.
2022. Proceedings of the Combustion Institute, 39 (2), 1515–1524. doi:10.1016/j.proci.2022.07.024

Measurements and Modelling of Total Ozone Columns near St. Petersburg, Russia
Nerobelov, G.; Timofeyev, Y.; Virolainen, Y.; Polyakov, A.; Solomatnikova, A.; Poberovskii, A.; Kirner, O.; Al-Subari, O.; Smyshlyaev, S.; Rozanov, E.
2022. Remote Sensing, 14 (16), 3944. doi:10.3390/rs14163944

Dynamical low-rank approximation for Burgers’ equation with uncertainty
Kusch, J.; Ceruti, G.; Einkemmer, L.; Frank, M.
2022. International Journal for Uncertainty Quantification, 12 (5), 1–21. doi:10.1615/Int.J.UncertaintyQuantification.2022039345

Dynamics of Premixed Hydrogen/Air Flames in Unsteady Flow
Zhang, F.; Zirwes, T.; Wang, Y.; Chen, Z.; Bockhorn, H.; Trimis, D.; Stapf, D.
2022. Physics of Fluids, 34 (8), Art.-Nr.: 085121. doi:10.1063/5.0098883

Resolvent-based modelling of coherent structures in a turbulent jet flame using a passive flame approach
Casel, M.; Oberleithner, K.; Zhang, F.; Zirwes, T.; Bockhorn, H.; Trimis, D.; Kaiser, T. L.
2022. Combustion and Flame, 236, Art.-Nr.: 111695. doi:10.1016/j.combustflame.2021.111695

Modeling of radiation heat transfer in the dense-bed flow of solid pyrolysis in indirectly heated rotary kilns
Tavakkol, S.
2022. Proceedings of the 13th European Conference on Industrial Furnaces and Boilsers (INFUB)

Automating and Scaling Task-Level Parallelism of Tightly Coupled Models via Code Generation
Roozmeh, M.; Kondov, I.
2022. Computational Science – ICCS 2022. Pt. 4. Ed.: D. Groen, 69–82, Springer Nature Switzerland. doi:10.1007/978-3-031-08760-8_6

Structures of Small Platinum Cluster Anions Pt: Experiment and Theory
Bumüller, D.; Yohannes, A. G.; Kohaut, S.; Kondov, I.; Kappes, M. M.; Fink, K.; Schooss, D.
2022. The Journal of Physical Chemistry A, 126 (22), 3502–3510. doi:10.1021/acs.jpca.2c02142

Mathematische Modellierungswochen – auch online
Schönbrodt, S.; Hofmann, S.
2022. Mitteilungen der Deutschen Mathematiker-Vereinigung, 30 (1), 46–50. doi:10.1515/dmvm-2022-0016

Numerical Study on Flame Stabilization and NO Formation in a Novel Burner System for Sulfur Combustion
Zhang, F.; Kurjata, M.; Sebbar, N.; Zirwes, T.; Fedoryk, M.; Harth, S.; Wang, R.; Habisreuther, P.; Trimis, D.; Bockhorn, H.
2022. Energy and Fuels, 36 (7), 4094–4106. doi:10.1021/acs.energyfuels.1c04007

A structure-preserving surrogate model for the closure of the moment system of the Boltzmann equation using convex deep neural networks
Schotthöfer, S.; Xiao, T.; Frank, M.; Hauck, C.
2021. AIAA Aviation 2021 Forum: August 2-6, 2021 ; Virtual Event, American Institute of Aeronautics and Astronautics. doi:10.2514/6.2021-2895

Challenge of modelling GLORIA observations of upper troposphere-lowermost stratosphere trace gas and cloud distributions at high latitudes: A case study with state-of-The-Art models
Haenel, F.; Woiwode, W.; Buchmüller, J.; Friedl-Vallon, F.; Höpfner, M.; Johansson, S.; Khosrawi, F.; Kirner, O.; Kleinert, A.; Oelhaf, H.; Orphal, J.; Ruhnke, R.; Sinnhuber, B.-M.; Ungermann, J.; Weimer, M.; Braesicke, P.
2022. Atmospheric Chemistry and Physics, 22 (4), 2843–2870. doi:10.5194/acp-22-2843-2022

Digital Tools to Enable Collaborative Mathematical Modeling Online
Schönbrodt, S.; Wohak, K.; Frank, M.
2022. Modelling in Science Education and Learning, 15 (1), 151–174. doi:10.4995/msel.2022.16269

Optimierungsprobleme in der mathematischen Modellierung : Grundlegende Aspekte und Chancen aus Sicht der Mathematikdidaktik – herausgestellt an aktuellen Problemen aus der Forschung zu künstlicher Intelligenz und erneuerbaren Energien. PhD dissertation
Schönbrodt, S.
2022, March 10. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000143530

Understanding excited state properties of host materials in OLEDs: simulation of absorption spectrum of amorphous 4,4-bis(carbazol-9-yl)-2,2-biphenyl (CBP)
Inanlou, S.; Cortés-Mejía, R.; Özdemir, A. D.; Höfener, S.; Klopper, W.; Wenzel, W.; Xie, W.; Elstner, M.
2022. Physical chemistry, chemical physics, 24 (7), 4576–4587. doi:10.1039/D1CP04293A

Partial Cross-Section Calculations for PGNAA Based on a Deterministic Neutron Transport Solver
Jesser, A.; Krycki, K.; Frank, M.
2022. Nuclear technology, 208 (7), 1114–1123. doi:10.1080/00295450.2021.2016018

A realizable filtered intrusive polynomial moment method
Alldredge, G.; Frank, M.; Kusch, J.; McClarren, R.
2022. Journal of computational and applied mathematics, 407, Art.-Nr.: 114055. doi:10.1016/j.cam.2021.114055

Surprisingly Low Reactivity of Layered Manganese Oxide toward Water Oxidation in Fe/Ni-Free Electrolyte under Alkaline Conditions
Salmanion, M.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2022. Inorganic chemistry, 61 (4), 2292–2306. doi:10.1021/acs.inorgchem.1c03665

A rank-adaptive robust integrator for dynamical low-rank approximation
Ceruti, G.; Kusch, J.; Lubich, C.
2022. BIT, 62 (4), 1149–1174. doi:10.1007/s10543-021-00907-7

Implementation and Validation of a Computationally Efficient DNS Solver for Reacting Flows in OpenFOAM
Zirwes, T.; Zhang, F.; Habisreuther, P.; Denev, J.; Bockhorn, H.; Trimis, D.
2021. 14th WCCM-ECCOMAS Congress 2020: Collection of papers presented at the 14th edition of the WCCM-ECCOMAS, virtual congress, January, 11-15, 2021. Ed.: F. Chinesta, Scipedia S.L. doi:10.23967/wccm-eccomas.2020.175

DNS of Near Wall Dynamics of Premixed CH/Air Flames
Zhang, F.; Zirwes, T.; Häber, T.; Bockhorn, H.; Trimis, D.; Suntz, R.
2021. 14th WCCM-ECCOMAS Congress 2020: Collection of papers presented at the 14th edition of the WCCM-ECCOMAS, virtual congress, January, 11-15, 2021. Ed.: F. Chinesta, Scipedia S.L. doi:10.23967/wccm-eccomas.2020.123

Hybrid eulerian-lagrangian approach for dense spray simulations
Heidarifatasmi, H.; Zirwes, T.; Zhang, F.; Habisreuther, P.; Trimis, D.
2021. Graph Drawing and Network Visualization: 29th International Symposium, GD 2021, Tübingen, Germany, September 14–17, 2021, Revised Selected Papers. Ed.: H. C. Purchase, 1–12, Scipedia S.L. doi:10.23967/wccm-eccomas.2020.172

A robust collision source method for rank adaptive dynamical low-rank approximation in radiation therapy
Kusch, J.; Stammer, P.
2022. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000141755

Turbulent flame-wall interaction of premixed flames using Quadrature-based Moment Methods (QbMM) and tabulated chemistry: An a priori analysis
Steinhausen, M.; Zirwes, T.; Ferraro, F.; Popp, S.; Zhang, F.; Bockhorn, H.; Hasse, C.
2022. International Journal of Heat and Fluid Flow, 93, Art.-Nr.: 108913. doi:10.1016/j.ijheatfluidflow.2021.108913

A low-rank power iteration scheme for neutron transport critically problems
Kusch, J.; Whewell, B.; McClarren, R.; Frank, M.
2022. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000141707

Enhancing OpenFOAM’s Performance on HPC Systems
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2021. High Performance Computing in Science and Engineering ’19 – Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2019. Ed.: W. Nagel, 225–239, Springer International Publishing. doi:10.1007/978-3-030-66792-4_16

Workflow Engineering in Materials Design within the BATTERY 2030+ Project
Schaarschmidt, J.; Yuan, J.; Strunk, T.; Kondov, I.; Huber, S. P.; Pizzi, G.; Kahle, L.; Bölle, F. T.; Castelli, I. E.; Vegge, T.; Hanke, F.; Hickel, T.; Neugebauer, J.; Rêgo, C. R. C.; Wenzel, W.
2022. Advanced Energy Materials, 12 (17), Art.-Nr.: 2102638. doi:10.1002/aenm.202102638

The Michelson Interferometer for Passive Atmospheric Sounding global climatology of BrONO2 2002–2012: a test for stratospheric bromine chemistry
Höpfner, M.; Kirner, O.; Wetzel, G.; Sinnhuber, B.-M.; Haenel, F.; Johansson, S.; Orphal, J.; Ruhnke, R.; Stiller, G.; Clarmann, T. von
2021. Atmospheric chemistry and physics, 21 (24), 18433–18464. doi:10.5194/acp-21-18433-2021

Authentische und relevante Modellierung mit Schülerinnen und Schülern an nur einem Tag?!
Wohak, K.; Sube, M.; Schönbrodt, S.; Roeckerath, C.; Frank, M.
2021. Neue Materialien für einen realitätsbezogenen Mathematikunterricht 8 – ISTRON-Schriftenreihe. Ed.: M. Bracke, 37–50, Springer Fachmedien Wiesbaden. doi:10.1007/978-3-658-33012-5_4

Digitales Lernmaterial zur Netflix Challenge
Schönbrodt, S.; Frank, M.
2021. Beiträge zum Mathematikunterricht 2021. Hrsg.: Kerstin Hein, Cathleen Heil, Silke Ruwisch & Susanne Prediger, WTM Verlag für wissenschaftliche Texte und Medien. doi:10.17877/DE290R-22328

Zerstörungsfreie stoffliche Beschreibung und Plausibilitätsprüfung radioaktiver Abfälle mittels QUANTOM
Coquard, L.; Nordhardt, G.; Hummel, J.; Havenith, A.; Krycki, K.; Hirsch, M.; Wangnick, M.; Fu, B.; Reisenhofer, F.; Hansmann, B.; Hansmann, T.; Helmes, C.; Dürr, M.; Rother, M.; Simons, F.; Köble, T.; Schumann, O.; Jesser, A.
2021. KONTEC GmbH

Flame structure analysis and composition space modeling of thermodiffusively unstable premixed hydrogen flames. Part II. Elevated pressure
Wen, X.; Zirwes, T.; Scholtissek, A.; Böttler, H.; Zhang, F.; Bockhorn, H.; Hasse, C.
2022. Combustion and Flame, 238, Art.Nr. 111808. doi:10.1016/j.combustflame.2021.111808

Flame structure analysis and composition space modeling of thermodiffusively unstable premixed hydrogen flames. Part I. Atmospheric pressure
Wen, X.; Zirwes, T.; Scholtissek, A.; Böttler, H.; Zhang, F.; Bockhorn, H.; Hasse, C.
2022. Combustion and Flame, 238, Art.Nr. 111815. doi:10.1016/j.combustflame.2021.111815

Correction to: Quasi-DNS Dataset of a Piloted Flame with Inhomogeneous Inlet Conditions
Zirwes, T.; Zhang, F.; Habisreuther, P.; Hansinger, M.; Bockhorn, H.; Pfitzner, M.; Trimis, D.
2021. Flow, turbulence and combustion, 107 (2), 517. doi:10.1007/s10494-021-00244-3

Memory Effects in Premixed Flames: Unraveling Transient Flame Dynamics with the Flame Particle Tracking Method. PhD dissertation
Zirwes, T. T.
2021, October 29. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000139504

Numerical database of highly-resolved turbulent flame-wall interaction simulations for model validation
Zirwes, T.; Zhang, F.; Steinhausen, M.; Habisreuther, P.; Bockhorn, H.; Hasse, C.; Trimis, D.
2021. 30. Deutscher Flammentag, Deutsche Sektion des Combustion Institutes und DVV/VDI-Gesellschaft Energie und Umwelt. Ed.: Dinkelacker, Friedrich; Pitsch Heinz; Scherer, Viktor, 1144–1153

Simulations of Air-assisted Primary Atomization at Different Air-to-Liquid Injection Angles for Entrained Flow Gasification
Zhang, F.; Zirwes, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Kolb, T.; Bockhorn, H.
2021. 30. Deutscher Flammentag, Deutsche Sektion des Combustion Institutes und DVV/VDI-Gesellschaft Energie und Umwelt. Ed.: F. Dinkelacker, 1116–1125

DNS of Unsteady Flame-Wall Interaction
Zhang, F.; Zirwes, T.; Häber, T.; Bockhorn, H.; Trimis, D.; Wang, R.; Suntz, R.
2021. 30. Deutscher Flammentag, Deutsche Sektion des Combustion Institutes und DVV/VDI-Gesellschaft Energie und Umwelt. Ed.: F. Dinkelacker, H. Pitsch, V. Scherer, 1106–1115

Efficient uncertainty quantification for Monte Carlo dose calculations using importance (re-)weighting
Stammer, P.; Burigo, L.; J kel, O.; Frank, M.; Wahl, N.
2021. Physics in Medicine and Biology, 66 (20), 205003. doi:10.1088/1361-6560/ac287f

Mathematische Grundlagen der Künstlichen Intelligenz im Schulunterricht: Chancen für eine Bereicherung des Unterrichts in linearer Algebra
Schönbrodt, S.; Camminady, T.; Frank, M.
2021. Mathematische Semesterberichte, 69, 73–101. doi:10.1007/s00591-021-00310-x

Heat Release Rate Markers for Highly Stretched Premixed CH/Air and CH/H/Air Flames
Chen, X.; Wang, Y.; Zirwes, T.; Zhang, F.; Bockhorn, H.; Chen, Z.
2021. Energy & fuels, 35 (16), 13349–13359. doi:10.1021/acs.energyfuels.1c02187

Oscillation mitigation of hyperbolicity-preserving intrusive uncertainty quantification methods for systems of conservation laws
Kusch, J.; Schlachter, L.
2022. Journal of Computational and Applied Mathematics, 400, Art.-Nr.: 113714. doi:10.1016/j.cam.2021.113714

Polyharmonic maps: conservation laws and approximations. PhD dissertation
Hörter, J.
2021, August 31. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000136367

Conservation laws for even order elliptic systems in the critical dimension - a new approach
Hörter, J.; Lamm, T.
2021. Calculus of Variations and Partial Differential Equations, 60 (4), Art. Nr.: 125. doi:10.1007/s00526-021-01995-7

On the stability of robust dynamical low-rank approximations for hyperbolic problems
Kusch, J.; Einkemmer, L.; Ceruti, G.
2021. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000135515

Entropy–Based Methods for Uncertainty Quantification of Hyperbolic Conservation Laws
Frank, M.; Kusch, J.; Wolters, J.
2021. Recent Advances in Numerical Methods for Hyperbolic PDE Systems – NumHyp 2019. Ed.: M. Muñoz-Ruiz, 29–56, Springer International Publishing. doi:10.1007/978-3-030-72850-2_2

A CMOS MEMS Thermal Flow Sensor for Gas and Liquid With Parylene-C Coating
Xu, W.; Wang, X.; Mousa, B.; Paszkiewicz, M.; Lee, Y.-K.
2021. IEEE transactions on electron devices, 68 (2), 919–922. doi:10.1109/TED.2020.3040351

Mountain-wave-induced polar stratospheric clouds and their representation in the global chemistry model ICON-ART
Weimer, M.; Buchmüller, J.; Hoffmann, L.; Kirner, O.; Luo, B.; Ruhnke, R.; Steiner, M.; Tritscher, I.; Braesicke, P.
2021. Atmospheric chemistry and physics, 21 (12), 9515–9543. doi:10.5194/acp-21-9515-2021

Pollution trace gases C₂H₆, C₂H₂, HCOOH, and PAN in the North Atlantic UTLS: observations and simulations
Wetzel, G.; Friedl-Vallon, F.; Glatthor, N.; Grooß, J.-U.; Gulde, T.; Höpfner, M.; Johansson, S.; Khosrawi, F.; Kirner, O.; Kleinert, A.; Kretschmer, E.; Maucher, G.; Nordmeyer, H.; Oelhaf, H.; Orphal, J.; Piesch, C.; Sinnhuber, B.-M.; Ungermann, J.; Vogel, B.
2021. Atmospheric chemistry and physics, 21 (10), 8213–8232. doi:10.5194/acp-21-8213-2021

Oxygen-Evolution Reaction by a Palladium Foil in the Presence of Iron
Akbari, N.; Kondov, I.; Vandichel, M.; Aleshkevych, P.; Najafpour, M. M.
2021. Inorganic Chemistry, 60 (8), 5682–5693. doi:10.1021/acs.inorgchem.0c03746

A realizable filtered intrusive polynomial moment method
Alldredge, G.; Frank, M.; Kusch, J.; McClarren, R.
2021. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000132806

Application of reaction-diffusion manifolds (REDIM) for the simulation of two-dimensional axisymmetric laminar diffusion flames
Li, N.; Yu, C.; Zirwes, T.; Maas, U.
2021. 10th European Combustion Meeting (ECM 2021), April 14-15, 2021, Virtual Edition. Proceedings Volume, MCM

Dynamical low-rank approximation for Burgers’ equation with uncertainty
Kusch, J.; Ceruti, G.; Einkemmer, L.; Frank, M.
2021. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000132636

A rank-adaptive robust integrator for dynamical low-rank approximation
Ceruti, G.; Kusch, J.; Lubich, C.
2021. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000131729

Effects of rotational conformation on electronic properties of 4,4′-bis(carbazol-9-yl)biphenyl (CBP): the single-molecule picture and beyond
Cortés-Mejía, R.; Höfener, S.; Klopper, W.
2021. Molecular physics, 119 (8), Art.Nr. e1876936. doi:10.1080/00268976.2021.1876936

Implementation and Validation of a Computationally Efficient DNS Solver for Reacting Flows in OpenFOAM
Zirwes, T.; Zhang, F.; Habisreuther, P.; Denev, J. A.; Bockhorn, H.; Trimis, D.
2021. 14th World Congress on Computational Mechanics (WWCM 2020) - 8th European Congress on Computational Methods in Applie Sciences (ECCOMAS 2020) (2021), Online, January 11–15, 2021

DNS of Near Wall Dynamics of Premixed CH4/Air Flames
Zhang, F.; Zirwes, T.; Häber, T.; Bockhorn, H.; Trimis, D.; Suntz, R.
2021. 14th World Congress on Computational Mechanics (WWCM 2020) - 8th European Congress on Computational Methods in Applie Sciences (ECCOMAS 2020) (2021), Online, January 11–15, 2021

Implementation of Lagrangian Surface Tracking for High Performance Computing
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2020. 23rd High Performance Computing in Science & Engineering - High Performance Computing in Science & Engineering - Results and Review Workshop of the HLRS, 8 - 9 Oktober 2020

Lagrangian Tracking of Material Surfaces in reacting Flows
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2020. The 15th OpenFOAM Workshop

Development of an Openfoam Solver for Numerical Simulation of Carbonization of Biomasses in Rotary Kilns
Tavakkol, S.; Zirwes, T.; Denev, J. A.; Jamshidi, F.; Bockhorn, H.
2020. OpenFOAM Workshop, June 22 - 25, 2020, Arlington, Virginia, USA

Implementation of an Efficient Synthetic Inflow Turbulence-Generator in the Open-Source Code OpenFOAM for 3D LES/DNS Applications
Galeazzo, F. C. C.; Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Zarzalis, N.; Trimis, D.
2020. 23rd High Performance Computing in Science & Engineering - High Performance Computing in Science & Engineering - Results and Review Workshop of the HLRS (2020), Online, October 8–9, 2020

Windowing Regularization Techniques for Unsteady Aerodynamic Shape Optimization
Schotthöfer, S.; Zhou, B. Y.; Albring, T. A.; Gauger, N. R.
2020. AIAA Aviation Forum, Session: Aerodynamic Design and Shape Optimization II, American Institute of Aeronautics and Astronautics. doi:10.2514/6.2020-3130

An Eulerian-Lagrangian method for wet biomass carbonization in rotary kiln reactors
Tavakkol, S.; Zirwes, T.; Denev, J. A.; Jamshidi, F.; Weber, N.; Bockhorn, H.; Trimis, D.
2021. Renewable & sustainable energy reviews, 139, Art.-Nr.: 110582. doi:10.1016/j.rser.2020.110582

Validation study for Large-Eddy Simulation of Forest Flow
Pitchurov, G.; Gromke, C.; Denev, J. A.; Cesar Cunha Galeazzo, F.
2020. E3S Web of Conferences, 207, Art.-Nr.: 02010. doi:10.1051/e3sconf/202020702010

Workflow Generation with wfGenes
Roozmeh, M.; Kondov, I.
2020. IEEE/ACM Workflows in Support of Large-Scale Science (WORKS), 9–16, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/WORKS51914.2020.00007

Pollution trace gas distributions and their transport in the Asian monsoon upper troposphere and lowermost stratosphere during the StratoClim campaign 2017
Johansson, S.; Höpfner, M.; Kirner, O.; Wohltmann, I.; Bucci, S.; Legras, B.; Friedl-Vallon, F.; Glatthor, N.; Kretschmer, E.; Ungermann, J.; Wetzel, G.
2020. Atmospheric chemistry and physics, 20 (23), 14695–14715. doi:10.5194/acp-20-14695-2020

Identification of Flame Regimes in Partially Premixed Combustion from a Quasi-DNS Dataset
Zirwes, T.; Zhang, F.; Habisreuther, P.; Hansinger, M.; Bockhorn, H.; Pfitzner, M.; Trimis, D.
2021. Flow, turbulence and combustion, 106 (2), 373–404. doi:10.1007/s10494-020-00228-9

On the role of trend and variability in the hydroxyl radical (OH) in the global methane budget
Zhao, Y.; Saunois, M.; Bousquet, P.; Lin, X.; Berchet, A.; Hegglin, M. I.; Canadell, J. G.; Jackson, R. B.; Deushi, M.; Jöckel, P.; Kinnison, D.; Kirner, O.; Strode, S.; Tilmes, S.; Dlugokencky, E. J.; Zheng, B.
2020. Atmospheric chemistry and physics, 20 (21), 13011–13022. doi:10.5194/acp-20-13011-2020

In-situ flame particle tracking based on barycentric coordinates for studying local flame dynamics in pulsating Bunsen flames
Zirwes, T.; Zhang, F.; Wang, Y.; Habisreuther, P.; Denev, J. A.; Chen, Z.; Bockhorn, H.; Trimis, D.
2021. Proceedings of the Combustion Institute, 38 (2), 2057–2066. doi:10.1016/j.proci.2020.07.033

Ray Effect Mitigation for the Discrete Ordinates Method Using Artificial Scattering
Frank, M.; Kusch, J.; Camminady, T.; Hauck, C. D.
2020. Nuclear science and engineering, 194 (11), 971–988. doi:10.1080/00295639.2020.1730665

Ignition of dimethyl ether/air mixtures by hot particles: Impact of low temperature chemical reactions
Wang, Y.; Zhang, H.; Zirwes, T.; Zhang, F.; Bockhorn, H.; Chen, Z.
2021. Proceedings of the Combustion Institute, 38 (2), 2459–2466. doi:10.1016/j.proci.2020.06.254

Numerical Study of Quenching Distances for Side-Wall Quenching Using Detailed Diffusion and Chemistry
Zirwes, T.; Häber, T.; Zhang, F.; Kosaka, H.; Dreizler, A.; Steinhausen, M.; Hasse, C.; Stagni, A.; Trimis, D.; Suntz, R.; Bockhorn, H.
2021. Flow, turbulence and combustion, 106, 649–679. doi:10.1007/s10494-020-00215-0

Effect of elevated pressure on air-assisted primary atomization of coaxial liquid jets : Basic research for entrained flow gasification
Zhang, F.; Zirwes, T.; Müller, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Kolb, T.
2020. Renewable & sustainable energy reviews, 134, Article no: 110411. doi:10.1016/j.rser.2020.110411

DNS-studies on flame front markers for turbulent premixed combustion
Schieβl R.; Denev, J. A.
2020. Combustion theory and modelling, 24 (6), 983–1001. doi:10.1080/13647830.2020.1800102

Numerical evaluation of a novel double-concentric swirl burner for sulfur combustion
Zhang, F.; Heidarifatasmi, H.; Harth, S.; Zirwes, T.; Wang, R.; Fedoryk, M.; Sebbar, N.; Habisreuther, P.; Trimis, D.; Bockhorn, H.
2020. Renewable & sustainable energy reviews, 133, Art. Nr.: 110257. doi:10.1016/j.rser.2020.110257

Near Wall Dynamics of Premixed Flames
Zhang, F.; Zirwes, T.; Häber, T.; Bockhorn, H.; Trimis, D.; Suntz, R.
2021. Proceedings of the Combustion Institute, 38 (2), 1955–1964. doi:10.1016/j.proci.2020.06.058

Numerical Simulations of Turbulent Flame Propagation in a Fan-Stirred Combustion Bomb and Bunsen-Burner at Elevated Pressure
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Bockhorn, H.; Trimis, D.
2020. Flow, turbulence and combustion, 106, 925–944. doi:10.1007/s10494-020-00209-y

Projecting ozone hole recovery using an ensemble of chemistry–climate models weighted by model performance and independence
Amos, M.; Young, P. J.; Hosking, J. S.; Lamarque, J.-F.; Abraham, N. L.; Akiyoshi, H.; Archibald, A. T.; Bekki, S.; Deushi, M.; Jöckel, P.; Kinnison, D.; Kirner, O.; Kunze, M.; Marchand, M.; Plummer, D. A.; Saint-Martin, D.; Sudo, K.; Tilmes, S.; Yamashita, Y.
2020. Atmospheric chemistry and physics, 20 (16), 9961–9977. doi:10.5194/acp-20-9961-2020

Oxygen Evolution and Reduction on Fe-doped NiOOH: Influence of Solvent, Dopant Position and Reaction Mechanism
Vandichel, M.; Laasonen, K.; Kondov, I.
2020. Topics in catalysis, 63, 833–845. doi:10.1007/s11244-020-01334-8

Intrusive acceleration strategies for uncertainty quantification for hyperbolic systems of conservation laws
Kusch, J.; Wolters, J.; Frank, M.
2020. Journal of computational physics, 419, Art. Nr.: 109698. doi:10.1016/j.jcp.2020.109698

Realizability-preserving discretization strategies for hyperbolic and kinetic equations with uncertainty. PhD dissertation
Kusch, J.
2020, July 14. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000121168

Optimization of Procedure for Determining Chlorine Nitrate in the Atmosphere from Ground-Based Spectroscopic Measurements
Virolainen, Y. A.; Polyakov, A. V.; Kirner, O.
2020. Journal of applied spectroscopy, 87 (2), 319–325. doi:10.1007/s10812-020-01002-5

The Eulerian Stochastic Fields Method Applied to Large Eddy Simulations of a Piloted Flame with Inhomogeneous Inlet
Hansinger, M.; Zirwes, T.; Zips, J.; Pfitzner, M.; Zhang, F.; Habisreuther, P.; Bockhorn, H.
2020. Flow, turbulence and combustion, 105 (3), 837–867. doi:10.1007/s10494-020-00159-5

Numerical Investigation of Local Heat-Release Rates and Thermo-Chemical States in Side-Wall Quenching of Laminar Methane and Dimethyl Ether Flames
Steinhausen, M.; Luo, Y.; Popp, S.; Straßacker, C.; Zirwes, T.; Kosaka, H.; Zentgraf, F.; Maas, U.; Sadiki, A.; Dreizler, A.; Hasse, C.
2021. Flow, turbulence and combustion, 106, 681–700. doi:10.1007/s10494-020-00146-w

Performance gains in an ESM using parallel ad-hoc file systems
Versick, S.; Kirner, O.; Meyer, J.; Obermaier, H.; Soysal, M.
2020, April 30. doi:10.5194/egusphere-egu2020-18121

Theoretical background of the hybrid VπLES method for flows with variable transport properties
Kornev, N.; Denev, J.; Samarbakhsh, S.
2020. Fluids, 5 (2), Article: 45. doi:10.3390/fluids5020045

Quasi-DNS of the Partially Premixed Sydney Flame
Zirwes, T.; Zhang, F.; Habisreuter, P.; Bockhorn, H.; Trimis, D.
2019. Simulation of reactive Thermo-Fluid Systems (STFS 2019), Darmstadt, Germany, September 22, 2019

Effect of Transient Flame Stretch
Zirwes, T.; Zhang, F.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. Simulation of reactive Thermo-Fluid Systems (STFS 2019), Darmstadt, Germany, September 22, 2019

Book of Abstracts: Sixth bwHPC Symposium, 30 September 2019, Karlsruhe, Germany
Denev, J.; Barthel, R.; Frank, M. (Eds.)
2019. Karlsruher Institut für Technologie (KIT)

Filtered stochastic Galerkin methods for hyperbolic equations
Kusch, J.; McClarren, R. G.; Frank, M.
2020. Journal of computational physics, 403, Article No.109073. doi:10.1016/j.jcp.2019.109073

Ray-effect mitigation for the discrete ordinates method using artificial scattering
Camminady, T.; Frank, M.; Hauck, C. D.; Kusch, J.
2019. International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M&C), Portland, OR, August 25-29, 2019, 459–466, American Nuclear Society (ANS)

Highly uniform quadrature sets for the discrete ordinates method
Camminady, T.; Frank, M.; Kusch, J.
2019. International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M&C), Portland, OR, August 25-29, 2019, 449–458, American Nuclear Society (ANS)

Intrusive uncertainty quantification for applications in fluid dynamics
Kusch, J.; Wolters, J.; Frank, M.
2019. International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering (M&C), Portland, OR, August 25-29, 2019, 1918–1927, American Nuclear Society (ANS)

Numerical Investigation of a Sulfur Combustor
Zhang, F.; Heidarifatasmi, H.; Harth, S.; Zirwes, T.; Fedoryk, M.; Sebbar, N.; Habisreuther, P.; Trimis, D.; Bockhorn, H.
2019. 29. Deutscher Flammentag (2019), Bochum, Germany, September 17–18, 2019

Quasi-DNS Dataset of a Piloted Flame with Inhomogeneous Inlet Conditions
Zirwes, T.; Zhang, F.; Habisreuther, P.; Hansinger, M.; Bockhorn, H.; Pfitzner, M.; Trimis, D.
2020. Flow, turbulence and combustion, 104, 997–1027. doi:10.1007/s10494-019-00081-5

Inter-model comparison of global hydroxyl radical (OH) distributions and their impact on atmospheric methane over the 2000-2016 period
Zhao, Y.; Saunois, M.; Bousquet, P.; Lin, X.; Berchet, A.; Hegglin, M. I.; Canadell, J. G.; Jackson, R. B.; Hauglustaine, D. A.; Szopa, S.; Stavert, A. R.; Abraham, N. L.; Archibald, A. T.; Bekki, S.; Deushi, M.; Jöckel, P.; Josse, B.; Kinnison, D.; Kirner, O.; Marécal, V.; O’Connor, F. M.; Plummer, D. A.; Revell, L. E.; Rozanov, E.; Stenke, A.; Strode, S.; Tilmes, S.; Dlugokencky, E. J.; Zheng, B.
2019. Atmospheric chemistry and physics, 19 (21), 13701–13723. doi:10.5194/acp-19-13701-2019

An adaptive quadrature-based moment closure
Kusch, J.; Frank, M.
2019. International journal of advances in engineering sciences and applied mathematics, 11 (3), 174–186. doi:10.1007/s12572-019-00252-7

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction
Bag, S.; Friederich, P.; Kondov, I.; Wenzel, W.
2019. Scientific reports, 9 (1), Art. Nr.: 12424. doi:10.1038/s41598-019-48877-9

Numerical Computation of Turbulent Flow Fields in a Fan-stirred Combustion Bomb
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Bockhorn, H.; Trimis, D.
2021. Combustion science and technology, 193 (4), 594–610. doi:10.1080/00102202.2019.1665520

Numerical and Experimental Investigations of Primary Breakup of High-Viscous Fluid at Elevated Pressure [in press]
Zhang, F.; Zirwes, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Dimosthenis, T.; Kolb, T.
2019. 29th European Conference on Liquid Atomization and Spray Systems, Paris, 2-4 Sep 2019

Non-Collective Scalable Global Network Based on Local Communications
Berghoff, M.; Kondov, I.
2018, November 12. 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA 2018), Dallas, TX, USA, November 11–16, 2018

The effect of atmospheric nudging on the stratospheric residual circulation in chemistry–climate models
Chrysanthou, A.; Maycock, A. C.; Chipperfield, M. P.; Dhomse, S.; Garny, H.; Kinnison, D.; Akiyoshi, H.; Deushi, M.; Garcia, R. R.; Jöckel, P.; Kirner, O.; Pitari, G.; Plummer, D. A.; Revell, L.; Rozanov, E.; Stenke, A.; Tanaka, T. Y.; Visioni, D.; Yamashita, Y.
2019. Atmospheric chemistry and physics, 19 (17), 11559–11586. doi:10.5194/acp-19-11559-2019

Clear-sky ultraviolet radiation modelling using output from the Chemistry Climate Model Initiative
Lamy, K.; Portafaix, T.; Josse, B.; Brogniez, C.; Godin-Beekmann, S.; Bencherif, H.; Revell, L.; Akiyoshi, H.; Bekki, S.; Hegglin, M. I.; Jöckel, P.; Kirner, O.; Liley, B.; Marecal, V.; Morgenstern, O.; Stenke, A.; Zeng, G.; Abraham, N. L.; Archibald, A. T.; Butchart, N.; Chipperfield, M. P.; Di Genova, G.; Deushi, M.; Dhomse, S. S.; Hu, R.-M.; Kinnison, D.; Kotkamp, M.; McKenzie, R.; Michou, M.; O& apos; Connor, F. M.; Oman, L. D.; Pitari, G.; Plummer, D. A.; Pyle, J. A.; Rozanov, E.; Saint-Martin, D.; Sudo, K.; Tanaka, T. Y.; Visioni, D.; Yoshida, K.
2019. Atmospheric chemistry and physics, 19 (15), 10087–10110. doi:10.5194/acp-19-10087-2019

Unsteady pure straining effects on lean premixed flames of different Lewis numbers
Denev, J. A.; Naydenova, I.; Zhang, F.; Zirwes, T.; Bockhorn, H.
2019. 9th European Combustion Meeting (ECM), Lissabon, Portugal, 14 - 17 April 2019

2D and 3D numerical simulation of chemiluminescent radical concentrations during side-wall quenching of premixed methane and propane flames [in press]
Zirwes, T.; Häber, T.; Zhang, F.; Kosaka, H.; Bockhorn, H.; Suntz, R.; Dreizler, A.; Janicka, J.
2019. 9th European Combustion Meeting (ECM), Lissabon, Portugal, 14 - 17 April 2019

Numerical simulation of sulfur combustors with high-power-density [in press]
Zhang, F.; Heidarifatasmi, H.; Zirwes, T.; Fedoryk, M.; Harth, S.; Sebbar, N.; Habisreuther, P.; Trimis, D.; Bockhorn, H.
2019. 9th European Combustion Meeting (ECM), Lissabon, Portugal, 14 - 17 April 2019

Numerical Simulation of Turbulent Flame Propagation in a Fan-Stirred Combustion Bomb at Elevated Pressures [in press]
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Bockhorn, H.; Trimis, D.
2019. 27th International Colloquium on the Dynamics of Explosions and Reactive Systems, Beijing, China, 8th July - 2nd August 2019

Large-Scale Quasi-DNS of Mixed-Mode Turbulent Combustion [in press]
Zirwes, T.; Zhang, F.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. 90th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM), Vienna, Austria, February 18-22, 1019. Ed.: J. Eberhardsteiner, TU Verlag

Ignition behaviour of sulfur in air based on modified reaction kinetics [in press]
Zirwes, T.; Sebbar, N.; Habisreuther, P.; Harth, S.; Zhang, F.; Bockhorn, H.; Trimis, D.
2019. 11th Mediterranean Combustion Symposium (MCS11), Tenerife, Spain, 16-20 June 2019

Using On-Demand File Systems in HPC Environments
Soysal, M.; Berghoff, M.; Zirwes, T.; Vef, M.-A.; Oeste, S.; Brinkmann, A.; Nagel, W. E.; Streit, A.
2019, July 17. 17th International Conference on High Performance Computing & Simulation (HPCS 2019), Dublin, Ireland, July 15–19, 2019

Large-Scale Quasi-DNS of Mixed-Mode Turbulent Combustion
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. 90th Annual Meeting of the International Association of Applied Mathematics and Mechanics (GAMM 2019), Vienna, Austria, February 18–22, 2019

2D and 3D numerical simulation of chemiluminescent radical concentrations during side-wall quenching of premixed methane and propane flames
Zirwes, T.; Häber, T.; Zhang, F.; Kosaka, H.; Bockhorn, H.; Suntz, R.; Dreizler, A.; Janicka, J.
2019. 9th European Combustion Meeting (ECM 2019), Lisbon, Portugal, April 14–17, 2019

Numerical simulation of sulfur combustors with high-power-density
Zhang, F.; Heidarifatasmi, H.; Zirwes, T.; Fedoryk, M.; Harth, S.; Sebbar, N.; Habisreuther, P.; Trimis, D.; Bockhorn, H.
2019. 9th European Combustion Meeting (ECM 2019), Lisbon, Portugal, April 14–17, 2019

Entwicklung von Schwefelbrennern mit hohen Leistungsdichten
Fedoryk, M.; Zhang, F.; Heidarifatasmi, H.; Zirwes, T.; Sebbar, N.; Harth, S.; Trimis, D.
2019. Jahrestreffen der ProcessNet-Fachgruppe "Hochtemperaturtechnik" (2019), Karlsruhe, Germany, April 2–3, 2019

LES of Combustion Noise from a Turbulent Premixed Jet Flame
Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. 17th International Conference on Numerical Combustion (2019), Aachen, Germany, May 6–8, 2019

Spectral response of heat release in LES combustion modeling
Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. 17th International Conference on Numerical Combustion (2019), Aachen, Germany, May 6–8, 2019

Implementation of Flame Particle Tracking for Studying Laminar and Turbulent Flame Dynamics
Zirwes, T.; Zhang, F.; Habisreuther, P.; Denev, J. A.; Bockhorn, H.; Trimis, D.
2019. 17th International Conference on Numerical Combustion (2019), Aachen, Germany, May 6–8, 2019

Numerical Simulation of Turbulent Flame Propagation in a Fan-Stirred Combustion Bomb at Elevated Pressures
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Bockhorn, H.; Trimis, D.
2019. 27th International Colloquium on the Dynamics of Explosions and Reactive Systems (ICDERS 2019), Beijing, China, July 28–August 2, 2019

Numerical and Experimental Investigations of Primary Breakup of High-Viscous Fluid at Elevated Pressure
Zhang, F.; Zirwes, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Kolb, T.
2019. 29th European Conference Liquid Atomization & Spray Systems (ILASS 2019), Paris, France, September 2–4, 2019

Numerische Untersuchung eines Schwefelverbrennungssystem
Zhang, F.; Heidarifatasmi, H.; Harth, S.; Zirwes, T.; Sebbar, N.; Fedoryk, M.; Trimis, D.
2019. 29. Deutscher Flammentag (2019), Bochum, Germany, September 17–18, 2019

Effect of elevated pressure on primary jet-breakup: Basic research for entrained flow gasification
Zhang, F.; Müller, T.; Zirwes, T.; Wachter, S.; Jakobs, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Kolb, T.
2019. 29. Deutscher Flammentag (2019), Bochum, Germany, September 17–18, 2019

Identification of Flame Regimes in Partially Premixed Combustion from a Quasi-DNS Dataset [in press]
Zirwes, T.; Zhang, F.; Hansinger, M.; Bockhorn, H.; Pfitzner, M.; Trimis, D.
2019. International Workshop on Clean Combustion: Principles and Applications (2019), Darmstadt, Germany, September 25–26, 2019

Improved Vectorization for Efficient Chemistry Computations in OpenFOAM for Large Scale Combustion Simulations
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2019. High Performance Computing in Science and Engineering ’18 - Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2018. Ed.: W. E. Nagel, 209–224, Springer International Publishing

Numerical and experimental investigation of chemiluminescent radical concentrations during side-wall quenching [in press]
Zirwes, T.; Häber, T.; Zhang, F.; Steinhausen, M.; Kosaka, H.; Bockhorn, H.; Suntz, R.; Hasse, C.; Dreizler, A.
2019. International Workshop on “Clean Combustion: Principles and Applications”, Darmstadt, Germany, September 25 - 26, 2019

Impact of Combustion Modeling on the Spectral Response of Heat Release in LES
Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.; Nawroth, H.; Paschereit, C. O.
2019. Combustion science and technology, 191 (9), 1520–1540. doi:10.1080/00102202.2018.1558218

Change in Flame Geometry of an Ethanol Spray Flame by Varying the Spray Characteristics
Galeazzo, F. C. C.; Fukumasu, N. K.; Denev, J. A.; Weis, C.; Habisreuther, P.; Krieger Filho, G. C.
2019. Combustion science and technology, 191 (9), 1693–1710. doi:10.1080/00102202.2019.1639682

Unusual chlorine partitioning in the 2015/16 Arctic winter lowermost stratosphere: Observations and simulations
Johansson, S.; Santee, M. L.; Grooß, J.-U.; Höpfner, M.; Braun, M.; Friedl-Vallon, F.; Khosrawi, F.; Kirner, O.; Kretschmer, E.; Oelhaf, H.; Orphal, J.; Sinnhuber, B.-M.; Tritscher, I.; Ungermann, J.; Walker, K. A.; Woiwode, W.
2019. Atmospheric chemistry and physics, 19 (12), 8311–8338. doi:10.5194/acp-19-8311-2019

Using On-demand File Systems in HPC Environments
Soysal, M.; Berghoff, M.; Zirwes, T.; Vef, M.-A.; Oeste, S.; Brinkman, A.; Nagel, W. E.; Streit, A.
2019. The 17th Annual Meeting of the 2019 International Conference on High Performance Computing & Simulation (HPCS 2019), Dublin, IR, July 15-19, 2019. doi:10.1109/HPCS48598.2019.9188216

Effect of stretch on the burning velocity of laminar and turbulent premixed flames. master’s thesis
Zirwes, T.
2016. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000094585

Maximum-principle-satisfying second-order Intrusive Polynomial Moment scheme
Kusch, J.; Alldredge, G. W.; Frank, M.
2019. SMAI Journal of Computational Mathematics, 5, 23–51. doi:10.5802/smai-jcm.42

Towards reduction of computational cost for large-scale combustion modelling with a multi-regional concept
Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.
2018. Progress in computational fluid dynamics, 18 (6), 333–346. doi:10.1504/PCFD.2018.096616

Potential Arctic cirrus cloud feedbacks on the composition of te UTLS
Haenel, F.; Woiwode, W.; Höpfner, M.; Ruhnke, R.; Khosrawi, F.; Kirner, O.; Friedl-Vallon, F.; Johansson, S.; Kleinert, A.; Schröter, J.; Sinnhuber, B.-M.
2019. DPG-Frühjahrstagung der Sektion Materie und Kosmos (SMuK), Fachverband Umweltphysik (2019), Munich, Germany, March 17–22, 2019

Ray effect mitigation for the discrete ordinates method through quadrature rotation
Camminady, T.; Frank, M.; Küpper, K.; Kusch, J.
2019. Journal of computational physics, 382, 105–123. doi:10.1016/j.jcp.2019.01.016

Non-Collective Scalable Global Network Based on Local Communications
Berghoff, M.; Kondov, I.
2018. 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), Dallas, TX, USA, November 12, 2018, 25–32, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ScalA.2018.00007

The NAStJA Framework: Non-Collective Scalable Global Communications
Berghoff, M.; Kondov, I.
2018, November. International Conference for High Performance Computing, Networking, Storage, and Analysis (SC 2018), Dallas, TX, USA, November 11–16, 2018

Case study of ozone anomalies over northern Russia in the 2015/2016 winter: measurements and numerical modelling
Timofeyev, Y. M.; Smyshlyaev, S. P.; Virolainen, Y. A.; Garkusha, A. S.; Polyakov, A. V.; Motsakov, M. A.; Kirner, O.
2018. Annales geophysicae, 36 (6), 1495–1505. doi:10.5194/angeo-36-1495-2018

Automated Code Generation for Maximizing Performance of Detailed Chemistry Calculations in OpenFOAM
Zirwes, T.; Zhang, F.; Habisreuther, P.; Denev, J. A.; Bockhorn, H.
2018. Innovatives Supercomputing in Deutschland, 16 (1), 54–58

Optimized Chemistry and Detailed Transport for Massively Parallel Simulations of Turbulent Combustion with OpenFOAM
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. The 13th OpenFOAM Workshop (OFW13), Shanghai, China, June 24-29 2018. Ed.: J. Wang

Investigation of S2 + Air Combustion
Sebbar, N.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. Proceedings of Joint Meeting of the German and Italian Sections of the Combustion Institute, Sorrento, Italy, May 23-26, 2018. Ed.: H. Bockhorn, VI10, Associazione Sezione Italiana del Combustion Institute (ASICI)

Revisiting the Mystery of Recent Stratospheric Temperature Trends
Maycock, A. C.; Randel, W. J.; Steiner, A. K.; Karpechko, A. Y.; Christy, J.; Saunders, R.; Thompson, D. W. J.; Zou, C.-Z.; Chrysanthou, A.; Luke Abraham, N.; Akiyoshi, H.; Archibald, A. T.; Butchart, N.; Chipperfield, M.; Dameris, M.; Deushi, M.; Dhomse, S.; Di Genova, G.; Jöckel, P.; Kinnison, D. E.; Kirner, O.; Ladstädter, F.; Michou, M.; Morgenstern, O.; O’Connor, F.; Oman, L.; Pitari, G.; Plummer, D. A.; Revell, L. E.; Rozanov, E.; Stenke, A.; Visioni, D.; Yamashita, Y.; Zeng, G.
2018. Geophysical research letters. doi:10.1029/2018GL078035

The NAStJA Framework - Efficient and Flexible
Berghoff, M.; Kondov, I.
2018, September. International Symposium on Computational Science at Scale (CoSaS 2018), Erlangen, Germany, September 5–7, 2018

Polar Stratospheric Clouds in ICON-ART
Weimer, M.; Kirner, O.; Ruhnke, R.; Braesicke, P.
2018. 20th EGU General Assembly, Geophysical Research Abstracts (2018), Vienna, Austria, April 8–13, 2018

Contribution of different PSC types to Arctic ozone depletion caused by chlorine activation and denitrification
Kirner, O.; Khosrawi, F.; Müller, R.; Weimer, M.; Ruhnke, R.
2017. 19th EGU General Assembly (2017), Vienna, Austria, April 23–28, 2017

The influence of different greenhouse gases to future stratospheric and mesospheric ozone in EMAC
Kirner, O.
2018. 20th EGU General Assembly, Geophysical Research Abstracts (2018), Vienna, Austria, April 8–13, 2018

Optimizing Load Balancing of Reacting Flow Solvers in OpenFOAM for High Performance Computing
Zirwes, T.; Zhang, F.; Habisreuther, P.; Denev, J. A.; Bockhorn, H.; Trimis, D.
2018. 6th ESI OpenFOAM User Conference 2018, Hamburg, 23.-25. Oktober 2018, 1–13, ESI Group

Improved Vectorization for Efficient Chemistry Computations in OpenFOAM for Large Scale Combustion Simulations
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. 21th High Performance Computing in Science & Engineering - Results and Review Workshop of the HLRS (2018), Stuttgart, Germany, October 4–5, 2018

Response of Local and Global Consumption Speed to Stretch in Laminar Steady-State Flames
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Zarzalis, N.
2017. 8th European Combustion Meeting, Dubrovnik, HR, April 18-21, 2017

Direct numerical simulation of ignition by hot moving particles
Zirwes, T.; Zhang, F.; Häber, T.; Roth, D.; Bockhorn, H.
2017. 26th International Colloquium on the Dynamics of Explosions and Reactive System (ICDERS), Boston, MA, July 30 - August 4, 2017

Spectral response of different combustion models in LES of direct combustion noise
Zhang, F.; Zirwes, T.; Nawroth, H.; Li, N.; Habisreuther, P.; Bockhorn, H.; Trimis, D.; Paschereit, C. O.
2018. Joint Meeting of the German and Italian Sections of the Combustion Institute (2018), Sorrento, Italy, May 23–26, 2018

Large Eddy Simulation of Turbulent Flow in a Fan-stirred Combustion Vessel
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Bockhorn, H.
2018. Joint Meeting of the German and Italian Sections of the Combustion Institute (2018), Sorrento, Italy, May 23–26, 2018

Investigation of S₂ + Air combustion
Sebbar, N.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. Joint Meeting of the German and Italian Sections of the Combustion Institute (2018), Sorrento, Italy, May 23–26, 2018

Change in flame geometry of an ethanol spray flame by varying the injection frequency
Galeazzo, F. C. C.; Fukumasu, N. K.; Denev, J. A.; Krieger Filho, G. C.
2018. Joint Meeting of the German and Italian Sections of the Combustion Institute (2018), Sorrento, Italy, May 23–26, 2018

Change in flame geometry of an ethanol spray flame by varying the injection frequency
Galeazzo, F. C. C.; Fukumasu, N. K.; Denev, J. A.; Krieger Filho, G. C.
2018. Joint Meeting German and Italian Sections of the Combustion Institute, 41st Meeting of the Italian Section of The Combustion Institute, Sorrento, I, May 23-26, 2018. Proceedings. Ed.: H. Bockhorn, Article VIII2, ASICI

Einfluss von erhöhtem Druck auf die Änderung der 549 Flammendynamik durch Streckung in vorgemischten Flammen
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Zarzalis, N.
2017. 28. Deutscher Flammentag (2017), Darmstadt, Germany, September 6–7, 2017

Einfluss von erhöhtem Druck auf die Änderung der 549 Flammendynamik durch Streckung in vorgemischten Flammen
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Zarzalis, N.
2017. Verbrennung und Feuerung : 28. Deutscher Flammentag 2017, Darmstadt, Germany, 6th - 7th September 2017, 549–562, VDI Verlag

Detailed Transport and Performance Optimization for Massively Parallel Simulations of Turbulent Combustion with OpenFOAM
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. The 13th OpenFOAM Workshop (OFW13), Shanghai, China, June 24-29, 2018. Ed.: J. Wang, 142–145, CMHL

Spectral response of different combustion models in LES of direct combustion noise
Zhang, F.; Zirwes, T.; Nawroth, H.; Li, N.; Habisreuther, P.; Bockhorn, H.; Trimis, D.; Paschereit, C. O.
2018. Joint Meeting German and Italian Sections of the Combustion Institute, 41st Meeting of the Italian Section of The Combustion Institute, Sorrento, I, May 23-26, 2018. Proceedings. Ed.: H. Bockhorn, Article I8, ASICI

Large Eddy Simulation of Turbulent Flow in a Fan-stirred Combustion Vessel
Zhang, F.; Zirwes, T.; Habisreuther, P.; Zarzalis, N.; Trimis, D.; Bockhorn, H.
2018. Joint Meeting German and Italian Sections of the Combustion Institute, 41st Meeting of the Italian Section of The Combustion Institute, Sorrento, I, May 23-26, 2018. Proceedings. Ed.: H. Bockhorn, Article I10, ASICI

Investigation of S₂ + Air combustion
Sebbar, N.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.; Trimis, D.
2018. Joint Meeting German and Italian Sections of the Combustion Institute, 41st Meeting of the Italian Section of The Combustion Institute, Sorrento, I, May 23-26, 2018. Proceedings. Ed.: H. Bockhorn, Article VI10, ASICI

Ignition of combustible mixtures by hot particles at varying relative speeds
Zirwes, T.; Zhang, F.; Häber, T.; Bockhorn, H.
2019. Combustion science and technology, 191 (1), 178–195. doi:10.1080/00102202.2018.1435530

S₂ + Air Combustion: Reaction Kinetics, Flame Structure, and Laminar Flame Behavior
Sebbar, N.; Zirwes, T.; Habisreuther, P.; Bozzelli, J. W.; Bockhorn, H.; Trimis, D.
2018. Energy & fuels, 32 (10), 10184–10193. doi:10.1021/acs.energyfuels.8b01019

Response of Local and Global Consumption Speed to Stretch in Laminar Steady-State Flames
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.; Zarzalis, N.
2017. Proceedings of the 8th European Combustion Meeting, Dubrovnik, HR, April 18-21, 2017. Ed.: N. Duic

The representation of solar cycle signals in stratospheric ozone – Part 2: Analysis of global models
Maycock, A. C.; Matthes, K.; Tegtmeier, S.; Schmidt, H.; Thiéblemont, R.; Hood, L.; Akiyoshi, H.; Bekki, S.; Deushi, M.; Jöckel, P.; Kirner, O.; Kunze, M.; Marchand, M.; Marsh, D. R.; Michou, M.; Plummer, D.; Revell, L. E.; Rozanov, E.; Stenke, A.; Yamashita, Y.; Yoshida, K.
2018. Atmospheric chemistry and physics, 18 (15), 11323–11343. doi:10.5194/acp-18-11323-2018

Intrusive methods in uncertainty quantification and their connection to kinetic theory
Kusch, J.; Frank, M.
2018. International journal of advances in engineering sciences and applied mathematics, 10 (1), 54–69. doi:10.1007/s12572-018-0211-3

Comparison of ECHAM5/MESSy Atmospheric Chemistry (EMAC) simulations of the Arctic winter 2009/2010 and 2010/2011 with Envisat/MIPAS and Aura/MLS observations
Khosrawi, F.; Kirner, O.; Stiller, G.; Höpfner, M.; Santee, M. L.; Kellmann, S.; Braesicke, P.
2018. Atmospheric chemistry and physics, 18 (12), 8873–8892. doi:10.5194/acp-18-8873-2018

Estimates of ozone return dates from Chemistry-Climate Model Initiative simulations
Dhomse, S. S.; Kinnison, D.; Chipperfield, M. P.; Salawitch, R. J.; Cionni, I.; Hegglin, M. I.; Abraham, N. L.; Akiyoshi, H.; Archibald, A. T.; Bednarz, E. M.; Bekki, S.; Braesicke, P.; Butchart, N.; Dameris, M.; Deushi, M.; Frith, S.; Hardiman, S. C.; Hassler, B.; Horowitz, L. W.; Hu, R.-M.; Jöckel, P.; Josse, B.; Kirner, O.; Kremser, S.; Langematz, U.; Lewis, J.; Marchand, M.; Lin, M.; Mancini, E.; Marécal, V.; Michou, M.; Morgenstern, O.; O& apos; Connor, F. M.; Oman, L.; Pitari, G.; Plummer, D. A.; Pyle, J. A.; Revell, L. E.; Rozanov, E.; Schofield, R.; Stenke, A.; Stone, K.; Sudo, K.; Tilmes, S.; Visioni, D.; Yamashita, Y.; Zeng, G.
2018. Atmospheric chemistry and physics, 18 (11), 8409–8438. doi:10.5194/acp-18-8409-2018

Validation of Atmospheric Numerical Models Based on Satellite Measurements of Ozone Columns
Virolainen, Y. A.; Timofeev, Y. M.; Berezin, I. A.; Smyshlyaev, S. P.; Motsakov, M. A.; Kirner, O.
2018. Russian meteorology and hydrology, 43 (3), 161–167. doi:10.3103/S1068373918030044

Massively Parallel Stencil Code Solver with Autonomous Adaptive Block Distribution
Berghoff, M.; Kondov, I.; Hötzer, J.
2018. IEEE transactions on parallel and distributed systems, 29 (10), 2282–2296. doi:10.1109/TPDS.2018.2819672

A non-noble Cr–Ni-based catalyst for the oxygen reduction reaction in alkaline polymer electrolyte fuel cells
Faubert, P.; Kondov, I.; Qazzazie, D.; Yurchenko, O.; Müller, C.
2018. MRS communications, 8 (01), 160–167. doi:10.1557/mrc.2018.13

Ozone Temporal Variability in the Subarctic Region: Comparison of Satellite Measurements with Numerical Simulations
Shved, G. M.; Virolainen, Y. A.; Timofeyev, Y. M.; Ermolenko, S. I.; Smyshlyaev, S. P.; Motsakov, M. A.; Kirner, O.
2018. Izvestiya / Atmospheric and oceanic physics, 54 (1), 32–38. doi:10.1134/S0001433817060111

Stratospheric ozone loss over the Eurasian continent induced by the polar vortex shift
Zhang, J.; Tian, W.; Xie, F.; Chipperfield, M. P.; Feng, W.; Son, S.-W.; Abraham, N. L.; Archibald, A. T.; Bekki, S.; Butchart, N.; Deushi, M.; Dhomse, S.; Han, Y.; Jöckel, P.; Kinnison, D.; Kirner, O.; Michou, M.; Morgenstern, O.; O’Connor, F. M.; Pitari, G.; Plummer, D. A.; Revell, L. E.; Rozanov, E.; Visioni, D.; Wang, W.; Zeng, G.
2018. Nature Communications, 9 (1), 206. doi:10.1038/s41467-017-02565-2

Study of Ozone Layer Variability near St. Petersburg on the Basis of SBUV Satellite Measurements and Numerical Simulation (2000–2014)
Virolainen, Y. A.; Timofeyev, Y. M.; Smyshlyaev, S. P.; Motsakov, M. A.; Kirner, O.
2017. Izvestiya / Atmospheric and oceanic physics, 53 (9), 911–917. doi:10.1134/S0001433817090328

A Global Network for Non-Collective Communication in Autonomous Systems
Berghoff, M.; Kondov, I.
2017. ICCS 2017, The International Conference on Computational Science, Zürich, Switzerland, 12th - 14th June 2017

Simulierte Welten : Unterrichtsbausteine zum Thema Simulation für den Unterricht in den Fächern NWT, Mathematik und Informatik
Barwind, J.; Berlich, R.; Hartenstein, H.; Hilpert, J.; Kondov, I.; Lürßen, P.; Renn, O.; Resch, M.; Schneider, O.; Zwölfer, A.
2015. Landesinstitut für Schulentwicklung

Diurnal variations of BrONO₂ observed by MIPAS-B at midlatitudes and in the Arctic
Wetzel, G.; Oelhaf, H.; Höpfner, M.; Friedl-Vallon, F.; Ebersoldt, A.; Gulde, T.; Kazarski, S.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.; Sinnhuber, B.-M.
2017. Atmospheric chemistry and physics, 17 (23), 14631–14643. doi:10.5194/acp-17-14631-2017

Denitrification, dehydration and ozone loss during the 2015/2016 Arctic winter
Khosrawi, F.; Kirner, O.; Sinnhuber, B.-M.; Johansson, S.; Höpfner, M.; Santee, M. L.; Froidevaux, L.; Ungermann, J.; Ruhnke, R.; Woiwode, W.; Oelhaf, H.; Braesicke, P.
2017. Atmospheric chemistry and physics, 17 (21), 12893–12910. doi:10.5194/acp-17-12893-2017

Burner design for an industrial furnace for thermal post-combustion
Denev, J. A.; Dinkov, I.; Bockhorn, H.
2017. Energy procedia, 120, 484–491. doi:10.1016/j.egypro.2017.07.171

Automated Code Generation for Maximizing Performance of Detailed Chemistry Calculations in OpenFOAM
Zirwes, T.; Zhang, F.; Denev, J. A.; Habisreuther, P.; Bockhorn, H.
2018. High Performance Computing in Science and Engineering ’ 17 - Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017. Ed.: W. Nagel, 189–204, Springer-Verlag. doi:10.1007/978-3-319-68394-2_11

Numerical Simulation of the Ignition of Fuel/Air Gas Mixtures Around Small Hot Particles
Häber, T.; Zirwes, T.; Roth, D.; Zhang, F.; Bockhorn, H.; Maas, U.
2017. Zeitschrift für physikalische Chemie, 231 (10), 1625–1654. doi:10.1515/zpch-2016-0933

An emission module for ICON-ART 2.0: implementation and simulations of acetone
Weimer, M.; Schröter, J.; Eckstein, J.; Deetz, K.; Neumaier, M.; Fischbeck, G.; Hu, L.; Millet, D. B.; Rieger, D.; Vogel, H.; Vogel, B.; Reddmann, T.; Kirner, O.; Ruhnke, R.; Braesicke, P.
2017. Geoscientific model development, 10 (6), 2471–2494. doi:10.5194/gmd-10-2471-2017

Effect of unsteady stretching on the flame local dynamics
Zhang, F.; Zirwes, T.; Habisreuther, P.; Bockhorn, H.
2017. Combustion and flame, 175, 170–179. doi:10.1016/j.combustflame.2016.05.028

Activity and electrochemical stability of a chromium modified nickel catalyst for oxygen reduction reaction
Kondov, I.; Faubert, P.; Müller, C.
2017. Electrochimica acta, 236, 260–272. doi:10.1016/j.electacta.2017.03.123

An assessment of the climatological representativeness of IAGOS-CARIBIC trace gas measurements using EMAC model simulations
Eckstein, J.; Ruhnke, R.; Zahn, A.; Neumaier, M.; Kirner, O.; Braesicke, P.
2017. Atmospheric chemistry and physics, 17 (4), 2775–2794. doi:10.5194/acp-17-2775-2017

Combustion-Generated Noise : An Environment-Related Issue for Future Combustion Systems
Zhang, F.; Zirwes, T.; Nawroth, H.; Habisreuther, P.; Bockhorn, H.; Paschereit, C. O.
2017. Energy technology, 5 (7), 1045–1054. doi:10.1002/ente.201600526

Impact of infinite thin flame approach on the evaluation of flame speed using spherically expanding flames
Zhang, F.; Baust, T.; Zirwes. Torsten; Denev, J. A.; Habisreuther, P.; Zarzalis, N.; Bockhorn, H.
2016. Energy technology, 5 (7), 1055–1063. doi:10.1002/ente.201600573

Impact of acetone on ozone in the upper troposphere: simulations with ICON-ART
Weimer, M.; Ruhnke, R.; Schröter, J.; Eckstein, J.; Deetz, K.; Stassen, C.; Braesicke, P.; Vogel, B.; Kirner, O.
2016. Quadrennial Ozone Symposium 2016, September, 4-9, 2016, Edinburgh, UK

Relative roles of different types of PSC to Antarctic ozone depletion in polar spring caused by chlorine activation, denitrification and dehydration
Kirner, O.; Müller, R.; Khosrawi, F.; Ruhnke, R.
2016. Quadrennial Ozone Symposium 2016, September, 4-9, 2016, Edinburgh, UK

Errors induced by different approximations in handling horizontal atmospheric inhomogeneities in MIPAS/ENVISAT retrievals
Castelli, E.; Ridolfi, M.; Carlotti, M.; Sinnhuber, B.-M.; Kirner, O.; Kiefer, M.; Dinelli, B. M.
2016. Atmospheric measurement techniques, 9 (11), 5499–5508. doi:10.5194/amt-9-5499-2016

A new module for trace gas emissions in ICON-ART 2.0: A sensitivity study focusing on acetone emissions and concentrations
Weimer, M.; Schröter, J.; Eckstein, J.; Deetz, K.; Neumaier, M.; Fischbeck, G.; Rieger, D.; Vogel, H.; Vogel, B.; Reddmann, T.; Kirner, O.; Ruhnke, R.; Braesicke, P.
2016. Geoscientific model development discussions, 2016, 1–27. doi:10.5194/gmd-2016-259

Adaptive silicon oxycarbide coatings with controlled hydrophilic or hydrophobic properties
Reznik, B.; Denev, J.; Bockhorn, H.
2016. Advanced engineering materials, 18 (5), 703–710. doi:10.1002/adem.201500364

Simulation flüchtiger organischer Substanzen mit ICON-ART
Weimer, M.; Schröter, J.; Eckstein, J.; Stassen, C.; Deetz, K.; Rieger, D.; Vogel, H.; Vogel, B.; Kirner, O.; Braesicke, P.; Ruhnke, R.
2016. Deutsch-Österreichisch-Schweizerische Meteorologen-Tagung (Dach 2016), Berlin, Germany, March 14–18, 2016

Relative roles of different types of PSC to Antarctic ozone depletion in polar spring caused by chlorine activation, denitrification and dehydration
Kirner, O.; Müller, R.; Khosrawi, F.; Ruhnke, R.
2016. Deutsch-Österreichisch-Schweizerische Meteorologen-Tagung (Dach 2016), Berlin, Germany, March 14–18, 2016

Chemistry climate interactions of stratospheric and mesospheric ozone in EMAC long-term simulations with different boundary conditions for CO₂, CH₄, N₂O and ODS
Kirner, O.; Ruhnke, R.; Sinnhuber, B. M.
2016. SPARC Workshop : Stratospheric Change and its Role in Climate Prediction (SHARP), Berlin, February 16-19, 2016

Multiscale simulation of organic electronics via smart scheduling of quantum mechanics computations
Friederich, P.; Strunk, T.; Wenzel, W.; Kondov, I.
2016. Procedia Computer Science, 80, 1244–1254. doi:10.1016/j.procs.2016.05.495

Multiscale simulation of organic electronics via smart scheduling of quantum mechanics computations
Friederich, P.; Strunk, T.; Wenzel, W.; Kondov, I.
2016. International Conference on Computational Science (ICCS 2016), San Diego, CA, June 6-8, 2016

Simulation of electrocatalytic oxygen reduction reaction on Cr-modified Ni surfaces
Kondov, I.; Faubert, P.; Müller, C.; Reinecke, H.
2016. Spring meeting of the European Materials Research Society (E-MRS 2016), Lille, F, May 2-6, 2016

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors
Friederich, P.; Meded, V.; Poschlad, A.; Neumann, T.; Rodin, V.; Stehr, V.; Symalla, F.; Danilov, D.; Lüdemann, G.; Fink, R. F.; Kondov, I.; Wrochem, F. von; Wenzel, W.
2016. Advanced functional materials, 26 (31), 5757–5763. doi:10.1002/adfm.201601807

Comparison of XCO abundances from the Total Carbon Column Observing Network and the Network for the Detection of Atmospheric Composition Change measured in Karlsruhe
Kiel, M.; Hase, F.; Blumenstock, T.; Kirner, O.
2016. Atmospheric measurement techniques, 9 (5), 2223–2239. doi:10.5194/amt-9-2223-2016

Comparing data obtained from ground-based measurements of the total contents of O₃, HNO₃,HCl, and NO₂ and from their numerical simulation
Virolainen, Y. A.; Timofeyev, Y. M.; Polyakov, A. V.; Ionov, D. V.; Kirner, O.; Poberovskii, A. V.; Imhasin, H. K.
2016. Izvestiya - Atmospheric and Ocean Physics, 52 (1), 57–65. doi:10.1134/S0001433815060146

Earth system chemistry integrated modelling (ESCiMo) with the modular earth submodel system (MESSy) version 2.51
Jöckel, P.; Tost, H.; Pozzer, A.; Kunze, M.; Kirner, O.; Brenninkmeijer, C. A. M.; Brinkop, S.; Cai, D. S.; Dyroff, C.; Eckstein, J.; Frank, F.; Garny, H.; Gottschaldt, K.-D.; Graf, P.; Grewe, V.; Kerkweg, A.; Kern, B.; Matthes, S.; Mertens, M.; Meul, S.; Neumaier, M.; Nützel, M.; Oberländer-Hayn, S.; Ruhnke, R.; Runde, T.; Sander, R.; Scharffe, D.; Zahn, A.
2016. Geoscientific Model Development, 9 (3), 1153–1200. doi:10.5194/gmd-9-1153-2016

Ab initio transport calculations for functionalized graphene flakes on a supercomputer
Walz, M.; Bagrets, A.; Evers, F.; Kondov, I.
2016. High Performance Computing in Science and Engineering ’15 : Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015. Ed.: W.E. Nagel, 139–154, Springer. doi:10.1007/978-3-319-24633-8_9

Preparing HPC applications for exascale: challenges and recommendations
Abraham, E.; Bekas, C.; Brandic, I.; Genaim, S.; Broch Johnsen, E.; Kondov, I.; Pilana, S.; Streit, A.
2015. 18th International Conference on Network-Based Information Systems (NBiS), Taipei, Taiwan, September 2-4, 2015

Preparing HPC applications for Exascale: challenges and recommendations
Abraham, E.; Bekas, C.; Brandic, I.; Genaim, S.; Johnsen, E. B.; Kondov, I.; Pllana, S.; Streit, A.
2015. 18th International Conference on Network-Based Information Systems, NBis 2015, Taipei, Taiwan, September 2-4, 2015, Barolli, L. [Hrsg.] Proceedings of the 18th International Conference on Network-Based Information Systems (NBiS), Taipei, Taiwan, September 2-4, 2015 Los Alamitos, Calif. : IEEE Computer Society, 2015, 401–406, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/NBiS.2015.61

Partitioning and budget of inorganic and organic chlorine species observed by MIPAS-B and TELIS in the Arctic in March 2011
Wetzel, G.; Oelhaf, H.; Birk, M.; Lange, A. de; Engel, A.; Friedl-Vallon, F.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.; Sinnhuber, B.-M.; Vogt, P.
2015. Atmospheric chemistry and physics, 15 (14), 8065–8076. doi:10.5194/acp-15-8065-2015

SCC präsentiert Forschung aus Supercomputing und Big Data
Kirner, O.
2015. SCC-News, 2015, 45

Schülerkolloquium Simulierte Welten am SCC
Kondov, I.
2015. SCC-News, 2015, 40

UNICORE Services für die Anwendungen Turbomole und eSBMTools
Poschlad, A.; Nilsen, D.; Soysal, M.; Kondov, I.
2015. SCC-News, 2015, 14–15

Analysis of the surface structure and catalytic behavior of Cr-modified Ni surfaces for fuel cells
Faubert, P.; Kondov, I.; Müller, C.; Reinecke, H.; Smyrek, P.; Proell, J.; Pfleging, W.
2015. 66th Annual Meeting of the International Society of Electrochemistry (ISE 2015), Taipei, Taiwan, October 4-9, 2015

Modelling, simulation and characterization of electrocatalytic oxygen reduction on Cr-modified Ni surfaces
Kondov, I.; Faubert, P.; Müller, C.; Reinecke, H.
2015. 66th Annual Meeting of the International Society of Electrochemistry (ISE 2015), Taipei, Taiwan, October 4-9, 2015

Multiscale simulation of organic electronics via massive nesting of density functional theory computational kernels
Poschlad, A.; Friederich, P.; Strunk, T.; Wenzel, W.; Kondov, I.
2015. International Conference on Computational Science (ICCS 2015), Reykjavik, IS, June 1-3, 2015

Optimizing electrocatalytic oxygen reduction reaction using density functional theory
Kondov, I.; Faubert, P.; Reinecke, H.; Müller, C.
2015. 2.bwHPC-Symposium, Ulm, October 2, 2015

The comparison of ground-based FTIR measurements and EMAC model simulation of trace-gases columns near St.Peterburg in 2009-2013
Virolainen, Y.; Makarova, M.; Ionov, D.; Polyakov, A.; Kirner, O.; Timofeyev, Y.; Poberovsky, A.; Imhasin, H.
2015. European Geosciences Union (EGU) General Assembly, Wien, A, April 12-17, 2015 Geophysical Research Abstracts, 17(2015) EGU2015-8050

Atmospheric methane variability at the Peterhof station (Russia): ground-based observations and modeling
Makarova, M.; Kirner, O.; Poberovskii, A.; Imhasin, H.; Timofeyev, Y.; Virolainen, Y.; Makarov, B.
2015. European Geosciences Union (EGU) General Assembly, Wien, A, April 12-17, 2015 Geophysical Research Abstracts, 17(2015) EGU2015-7623

Relative roles of different types of PSC to Antarctiv ozone depletion in polar spring caused by chlorine activation and denitrification
Kirner, O.; Müller, R.; Khosrawi, F.; Ruhnke, R.
2015. European Geosciences Union (EGU) General Assembly, Wien, A, April 12-17, 2015 Geophysical Research Abstracts, 17(2015) EGU2015-1967

Chemistry-climate interactions of stratospheric and mesospheric ozone in EMAC long-term simulations with different boundary conditions for CO₂, CH₄, N₂O, and ODS
Kirner, O.; Ruhnke, R.; Sinnhuber, B. M.
2015. European Geosciences Union (EGU) General Assembly, Wien, A, April 12-17, 2015 Geophysical Research Abstracts, 17(2015) EGU2015-1968

Annual cycle and long-term trend of the methane total column in the atmosphere over the St. Petersburg region
Makarova, M. V.; Kirner, O.; Timofeev, Y. M.; Poberovskii, A. V.; Imkhasin, K. K.; Osipov, S. I.; Makarov, B. K.
2015. Izvestiya / Atmospheric and oceanic physics, 51 (4), 431–438. doi:10.1134/S0001433815040088

The photolysis module JVAL-14, compatible with the MESSy standard, and the JVal PreProcessor (JVPP)
Sander, R.; Jöckel, P.; Kirner, O.; Kunert, A. T.; Landgraf, J.; Pozzer, A.
2014. Geoscientific model development, 7 (6), 2653–2662. doi:10.5194/gmd-7-2653-2014

Quantification of the local heat release rate during flame-vortex interactions at different Lewis numbers and equivalence ratios
Denev, J. A.; Naydenova, I.; Bockhorn, H.
2014. Eurasian Chemico-Technological Journal, 16 (2-3), 195–207

Lean Premixed Flames - a Direct Numerical Simulation Study of the Effect of Lewis Number at Large Scale Turbulence
Denev, J. A.; Naydenova, I.; Bockhorn, H.
2015. High performance computing in science and engineering ’14 : transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014. Ed.: W. Nagel, 237–250, Springer-Verlag. doi:10.1007/978-3-319-10810-0_17

Analysis of methane total column variations in the atmosphere near St.Petersburg using ground-based measurements and simulations
Makarova, M. V.; Kirner, O.; Timofeev, Y. M.; Poberovskii, A. V.; Imkhasin, K. K.; Osipov, S. I.; Makarov, B. K.
2015. Izvestiya / Atmospheric and oceanic physics, 51 (2), 177–185. doi:10.1134/S0001433815010089

Diurnal variations of BrONO₂ observed by MIPAS-B in the Arctic and at mid-latitudes
Wetzel, G.; Oelhaf, H.; Friedl-Vallon, F.; Ebersoldt, A.; Gulde, T.; Höpfner, M.; Kazarski, S.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.; Sinnhuber, B. M.
2015. European Geosciences Union (EGU) General Assembly, Wien, A, April 12-17, 2015 Geophysical Research Abstracts, 17(2015) EGU2015-1552

Partitioning and budget of inorganic and organic chlorine species observed by MIPAS-B and TELIS in the Arctic in March 2011
Wetzel, G.; Oelhaf, H.; Birk, M.; Lange, A. de; Engel, A.; Friedl-Vallon, F.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.; Sinnhuber, B.-M.; Vogt, P.
2015. Atmospheric chemistry and physics / Discussions, 15 (4), 5391–5422. doi:10.5194/acpd-15-5391-2015

Chlorine nitrate in the atmosphere over St.Petersburg
Virolainen, Y. A.; Timofeyev, Y. M.; Poberovskii, A. V.; Kirner, O.; Hoepfner, M.
2015. Izvestiya / Atmospheric and oceanic physics, 51, 49–56. doi:10.1134/S0001433815010119

Quantum dynamical simulation of photoinduced electron transfer processes in dye-semiconductor systems : theory and application to coumarin 343 at TiO₂
Li, J.; Kondov, I.; Wang, H.; Thoss, M.
2015. Journal of physics / Condensed matter, 27 (13), Art. Nr. 134202. doi:10.1088/0953-8984/27/13/134202

Chemistry-climate interactions of stratospheric and mesospheric ozone in EMAC long-term simulations with different boundary conditions for CO₂, CH₄, N₂O, and ODS
Kirner, O.; Ruhnke, R.; Sinnhuber, B. M.
2015. Atmosphere-ocean, 53, 140–152. doi:10.1080/07055900.2014.980718

Native structure-based modeling and simulation of biomolecular systems per mouse click
Lutz, B.; Sinner, C.; Bozic, S.; Kondov, I.; Schug, A.
2014. BMC Bioinformatics, 15 (1), 292/1–12. doi:10.1186/1471-2105-15-292

Contribution of liquid, NAT and ice particles to chlorine activation and ozone depletion in Antarctic winter and spring
Kirner, O.; Müller, R.; Ruhnke, R.; Fischer, H.
2015. Atmospheric Chemistry and Physics, 15 (4), 2019–2030. doi:10.5194/acp-15-2019-2015

SCC präsentiert HPC- und Big-Data-Forschung in Leipzig
Kirner, O.
2014. SCC-News, (2), 30

Proteinsimulation per Mausklick
Kondov, I.; Schug, A.
2014. SCC-News, (2), 24–25

Impact of acetone (photo)oxidation on HOx production in the UT/LMS based on CARIBIC passenger aircraft observations and EMAC simulations
Neumaier, M.; Ruhnke, R.; Kirner, O.; Ziereis, H.; Stratmann, G.; Brenninkmeijer, C. A. M.; Zahn, A.
2014. Geophysical research letters, 41, 3289–3297. doi:10.1002/2014GL059480

Radiative and dynamical contributions to past and future Arctic stratospheric temperature trends
Bohlinger, P.; Sinnhuber, B. M.; Ruhnke, R.; Kirner, O.
2014. Atmospheric chemistry and physics, 14, 1679–1688. doi:10.5194/acp-14-1679-2014

Integration of eSBMTools into the MoSGRID portal using the gUSE technology
Bozic, S.; Krüger, J.; Sinner, C.; Lutz, B.; Schug, A.; Kondov, I.
2014. Proceedings of the 6th International Workshop on Science Gateways (IWSG 2014), Dublin, IRL, June 3-5, 2014, 85–90, IEEE Computer Society. doi:10.1109/IWSG.2014.21

An EMF-based toolkit for creation of domain-specific data services
Bender, A.; Bozic, S.; Kondov, I.
2014. 2nd International Conference on Model-Driven Engineering and Software Development (MODELSWARD 2014), Lisboa, P, January 7-9, 2014, 30–40, SciTePress. doi:10.5220/0004701900300040

Self-consistent charge carrier mobility calculation in organic semi-conductors with explicit polaron treatment
Friederich, P.; Kondov, I.; Meded, V.; Neumann, T.; Symalla, F.; Poschlad, A.; Emerson, A.; Rodin, V.; Von Wrochem, F.; Wenzel, W.
2014. PRACE Scientific and Industrial Conference, Barcelona, E, May 20-22, 2014

Contribution of liquid, NAT and ice particles to chlorine activation and ozone depletion during Antarctic winter and spring
Kirner, O.; Müller, R.; Ruhnke, R.; Fischer, H.
2014. Atmospheric chemistry and physics / Discussions, 14 (10), 14833–14854. doi:10.5194/acpd-14-14833-2014

HOCl chemistry in the Antarctic stratospheric vortex 2002, as observed with the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS)
Von Clarmann, T.; Glatthor, N.; Ruhnke, R.; Stiller, G. P.; Kirner, O.; Reddmann, T.; Hopfner, M.; Kellmann, S.; Kouker, W.; Linden, A.; Funke, B.
2008. Atmospheric Chemistry and Physics Discussions, 8, 18967–18992

Evaluation of CLaMS, KASIMA and ECHAM5/MESSy1 simulations in the lower stratosphere using observations of Odin/SMR and ILAS/ILAS-II
Khosrawi, F.; Müller, R.; Proffitt, M. H.; Ruhnke, R.; Kirner, O.; Jockel, P.; Grooß, J.-U.; Urban, J.; Murtagh, D.; Nakajima, H.
2009. Atmospheric chemistry and physics, 9 (15), 5759–5783. doi:10.5194/acp-9-5759-2009

A model study of the January 2006 low total ozone episode over Western Europe and comparison with ozone sonde data
Mangold, A.; Grooß, J.-U.; De Backer, H.; Kirner, O.; Ruhnke, R.; Müller, R.
2009. Atmospheric chemistry and physics, 9 (17), 6429–6451. doi:10.5194/acp-9-6429-2009

Integration of eSBMTools into the MoSGRID portal using the gUSE technology
Bozic, S.; Krüger, J.; Sinner, C.; Lutz, B.; Schug, A.; Kondov, I.
2014. 6th International Workshop on Science Gateways (IWSG 2014), Dublin, IRL, June 3-5, 2014

The MIPAS HOCl climatology
Clarmann, T. von; Funke, B.; Glatthor, N.; Kellmann, S.; Kiefer, M.; Kirner, O.; Sinnhuber, B. M.; Stiller, G. P.
2012. Atmospheric chemistry and physics, 12, 1965–1977. doi:10.5194/acp-12-1965-2012

3. EMAC-Symposium am SCC. Globales Chemie-Klimamodell simuliert Atmosphäre bis in eine Höhe von 80 Kilometern
Kirner, O.; Ruhnke, R.
2013. SCC-News, (2), 27

Radiative and dynamical contributions to past and future Arctic stratospheric temperature trends
Bohlinger, P.; Sinnhuber, B.-M.; Ruhnke, R.; Kirner, O.
2013. Atmospheric chemistry and physics / Discussions, 13 (3), 6707–6728. doi:10.5194/acpd-13-6707-2013

First remote sensing measurements of ClOOCl along with ClO and ClONO₂ in activated and deactivated Arctic vortex conditions using new ClOOCl IR absorption cross sections
Wetzel, G.; Oelhaf, H.; Kirner, O.; Ruhnke, R.; Friedl-Vallon, F.; Kleinert, A.; Maucher, G.; Fischer, H.; Birk, M.; Wagner, G.; Engel, A.
2009. Atmospheric Chemistry and Physics Discussions, 9, 20103–20143. doi:10.5194/acpd-9-20103-2009

Simulation of polar stratospheric clouds in the chemistry-climate-model EMAC via the submodel PSC
Kirner, O.; Ruhnke, R.; Buchholz-Dietsch, J.; Jöckel, P.; Brühl, C.; Steil, B.
2011. Geoscientific Model Development, 4, 169–182. doi:10.5194/gmd-4-169-2011

Observed and simulated time evolution of HCl, ClONO₂ and HF total column abundances
Kohlhepp, R.; Ruhnke, R.; Chipperfield, M. P.; De Maziere, M.; Notholt, J.; Barthlott, S.; Batchelor, R. L.; Blatherwick, R. D.; Blumenstock, T.; Coffey, M. T.; Demoulin, P.; Fast, H.; Feng, W.; Goldman, A.; Griffith, D. W. T.; Hamann, K.; Hannigan, J. W.; Hase, F.; Jones, N. B.; Kagawa, A.; Kaiser, I.; Kasai, Y.; Kirner, O.; Kouker, W.; Lindenmaier, R.; Mahieu, E.; Mittermeier, R. L.; Monge-Sanz, B.; Morino, I.; Murata, I.; Nakajima, H.; Palm, M.; Paton-Walsh, C.; Raffalski, U.; Reddmann, T.; Rettinger, M.; Rinsland, C. P.; Rozanov, E.; Schneider, M.; Senten, C.; Servais, C.; Sinnhuber, B. M.; Smale, D.; Strong, K.; Sussmann, R.; Taylor, J. R.; Vanhaelewyn, G.; Warneke, T.; Whaley, C.; Wiehle, M.; Wood, S. W.
2012. Atmospheric chemistry and physics, 12 (7), 3527–3557. doi:10.5194/acp-12-3527-2012

The MIPAS HOCl climatology
Clarmann, T. von; Funke, B.; Glatthor, N.; Kellmann, S.; Kiefer, M.; Kirner, O.; Sinnhuber, B. M.; Stiller, G. P.
2011. Atmospheric chemistry and physics / Discussions, 11 (7), 20793–20822. doi:10.5194/acpd-11-20793-2011

Turbulent burning velocity in premixed combustion
Denev, J. A.; Bockhorn, H.
2013. Proceedings of "The Spark Ignition Engine of the Future - International Conference and Exhibition", December 4-5 2013, Strasbourg, France, 7

A local look into the unsteady premixed combustion phenomena
Denev, J. A.; Bockhorn, H.
2013. Verbrennung und Feuerung ; 26. Deutscher Flammentag ; Duisburg, 11. und 12. September 2013 [Konferenz], 601–612, VDI Verlag

Experimental and Numerical Characterization of H2/Air Spherically Expanding Laminar Flame at Lean Conditions
Denev, J. A.; Vukadinovic, V.; Naydenova I.; Zarzalis, N.; Bockhorn, H.
2013. Proceedings of the European Combustion Meeting, ECM 2013 : Lund, Sweden, June 25 - 28, 2013, Paper P1–69, Lund

Diurnal variations of reactive chlorine and nitrogen oxides observed by MIPAS-B inside the January 2010 Arctic vortex
Wetzel, G.; Oelhaf, H.; Kirner, O.; F. Friedl-Vallon; Ruhnke, R.; Ebersoldt, A.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.
2012. Atmospheric chemistry and physics / Discussions, 12 (2), 6581–6592. doi:10.5194/acpd-12-4867-2012

A new parameterization of polar stratospheric clouds based on the effective growth of NAT particles in the chemistry-climate-model EMAC
Kirner, O.; Ruhnke, R.; Höpfner, M.
2013. European Geosciences Union (EGU) General Assembly, Wien, A, April 7-12, 2013 Geophysical Research Abstracts, 15(2013) EGU2013-11373

Influence of nudging setup on EMAC model results after major stratospheric warming during the winter 2008/09
Versick, S.; Kirner, O.; Funke, B.; Gardini, A.; Stiller, G.
2013. European Geosciences Union (EGU) General Assembly, Wien, A, April 7-12, 2013 Geophysical Research Abstracts, 15(2013) EGU2013-10115

Updating photolysis reactions with the JVAL preprocessor (JVPP)
Sander, R.; Joeckel, P.; Kirner, O.; Kunert, A.; Landgraf, J.; Pozzer, A.
2013. 3rd Annual EMAC Symposium, Karlsruhe, June 12-14, 2013

The relative importance of gas-phase and heterogeneous processes for polar chlorine activation and subsequent ozone depletion
Müller, R.; Wegner, T.; Grooß, J. U.; Kirner, O.; Drdla, K.
2013. RECONCILE Final Meeting, Budapest, H, February 20-22, 2013

The relative importance of gas-phase and heterogeneous processes for polar chlorine activation and subsequent ozone depletion
Müller, R.; Wegener, T.; Grooß, J. U.; Kirner, O.; Drdla, K.
2013. European Geosciences Union (EGU) General Assembly, Wien, A, April 7-12, 2013 Geophysical Research Abstracts, 15(2013) EGU2013-9076

Contribution of the different PSC types to stratospheric chlorine activation and ozone depletion
Kirner, O.
2013. 3rd Annual EMAC Symposium, Karlsruhe, June 12-14, 2013

Polare Chloraktivierung und Ozonabbau im Chemie-Klima Modell EMAC mit unterschiedlicher heterogener Chemie auf stratosphärischen Aerosol- und polaren Stratosphärenwolken
Kirner, O.; Ruhnke, R.; Hoepfner, M.; Joeckel, M.; Fischer, H.
2013. Deutsch-Österreichisch-Schweizerische Meteorologen-Tagung (DACH 2013), Innsbruck, A, September 2-6, 2013

Satellite observations of OClO from 1995 to 2011 in comparison to ECMWF data and EMAC simulations
Kuehl, S.; Pukite, J.; Doerner, S.; Joeckel, P.; Wagner, T.; Kirner, O.
2013. 39th COSPAR Scientific Assembly, Mysore, IND, July 14-22, 2012

Satellite observations of OClO from 1995 to 2011 in comparison to ECMWF data and EMAC simulation
Kühl, S.; Pukite, J.; Dörner, S.; Jöckel, P.; Kirner, O.; Wagner, T.
2013. European Geosciences Union (EGU) General Assembly, Wien, A, April 22-27, 2012 Geophysical Research Abstracts, 14(2012) EGU2012-3151

Weiterentwicklung und Optimierung eines auf OpenFOAM basierten DNS Lösers zur Verbesserung der Effizienz und Handhabung. bachelor’s thesis
Zirwes, T.
2013. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000037538

Multiscale modelling methods for applications in materials science
Kondov, I.; Sutmann, G. (Eds.)
2013. Forschungszentrum Jülich

Multiscale materials modelling on high performance computer architectures
Kondov, I.
2013. MAPPER Summer School on Distributed Multiscale Computing, Barcelona, E, June 4, 2013

A service-oriented approach for multiscale materials modelling
Kondov, I.; Bozic, S.; Meded, V.; Wenzel, W.
2013. Internat.Workshop on Multiscale Modelling of Materials for Energy Conversion Applications (MMM @ HPC), Athinai, GR, November 8-9, 2012

A service-oriented framework for integration of domain-specific data models in scientific workflows
Bender, A.; Poschlad, A.; Bozic, S.; Kondov, I.
2013. Procedia Computer Science, 18, 1087–1097. doi:10.1016/j.procs.2013.05.274

Multiscale modelling of nanoscale materials and electronic transport
Wenzel, W.; Maul, R.; Poschlad, A.; Meded, V.; Danilov, D.; Kondov, I.
2013. 9th Rencontres du Vietnam ’Nanophysics: From Fundamentals to Applications’, Quy-Nhon, Vietnam, August 4-10, 2013

Multiscale material modelling on high performance computer architectures
Danilov, D.; Meded, V.; Kondov, I.; Wenzel, W.
2013. International Conference on Computational Modelling of Nanostructured Materials (ICCMNM 2013), Frankfurt, September 3-6, 2013

A service-oriented framework for integration of domain-specific data models in scientific workflows
Bender, A.; Poschlad, A.; Bozic, S.; Kondov, I.
2013. International Conference on Computational Science (ICCS 2013), Barcelona, E, June 5-7, 2013

Protein structure prediction using distributed parallel particle swarm optimization
Kondov, I.
2013. Natural Computing, 12, 29–41. doi:10.1007/s11047-012-9325-x

Protein folding and structure prediction with free energy methods
Kondov, I.; Wenzel, W.
2012. AK-Ulrich Group Meeting, Freudenstadt, September 18-22, 2011

Assessment of eddy resolving techniques for the flow over periodically arranged hills up to Re=37000
Manhart, M.; Rapp, C.; Peller, N.; Breuer, M.; Aybay, O.; Denev, J. A.; Falconi, C. J.
2011. Quality and Reliability of Large-Eddy Simulations II. Ed.: M. V. Salvetti, 361–370. doi:10.1007/978-94-007-0231-8_33

Thermal Degradation of Polymethylsilsesquioxane and Microstructure of the Derived Glasses
Haußmann, M.; Reznik, B.; Bockhorn, H.; Denev, J. A.
2011. Journal of Analytical and Applied Pyrolysis, 91 (1), 224–231. doi:10.1016/j.jaap.2011.02.016

Wavelet Decomposition of Turbulent Velocity and its Application to Subgrid Scale Modeling
Denev, J. A.; Falconi, C. J.; Bockhorn, H.
2012. Proceedings of the 7th International Conference on Computational Fluid Dynamics (ICCFD’12), Big Island, Hawaii, July 9-13, 2012

Wavelet-adapted sub-grid scale models for LES
Denev, J. A.; Falconi, C. J.; Fröhlich, J.; Bockhorn, H.
2010. Turbulence and interactions : proceedings the TI 2009 conference. Ed.: M. Deville, 111–117, Springer-Verlag. doi:10.1007/978-3-642-14139-3_13

Large eddy simulation of a swirling transverse jet into a crossflow with investigation of scalar transport
Denev, J. A.; Fröhlich, J.; Bockhorn, H.
2009. Physics of Fluids, 21, 015101. doi:10.1063/1.3054148

Two-Point Correlations of a Round Jet into a Crossflow - Results from a Direct Numerical Simulation
Denev, J. A.; Fröhlich, J.; Bockhorn, H.
2009. High Performance Computing in Science and Engineering `08. Ed.: W.E. Nagel, 191–203, Springer-Verlag

DNS and LES of a jet in crossflow - Evaluation of turbulence quantities and modelling issues
Denev, J. A.; Falconi, C.; Fröhlich, J.; Bockhorn, H.
2008. Proceedings of the 7th International ERCOFTAC Symposium on Engineering Turbulence Modelling and Measurements, ETMM7, 4-6 June, Limassol, Cyprus, 587–592

UNICORE based workflows for the simulation of organic light-emitting diodes
Bozic, S.; Kondov, I.; Meded, V.; Wenzel, W.
2012. UNICORE Summit 2012, Dresden, May 30-31, 2012. Ed.: V. Huber, 15–25, Forschungszentrum Jülich

Experience with UNICORE services for multiscale materials modeling
Carpene, M.; Bozic, S.; Kondov, I.; Emerson, A.
2012. UNICORE Summit 2012, Dresden, May 30-31, 2012. Ed.: V. Huber, 1–13, Forschungszentrum Jülich

Study of parameters and entrainment of a jet in cross-flow arrangement with transition at two low Reynolds numbers
Cárdenas, C.; Denev, J. A.; Suntz, R.; Bockhorn, H.
2012. Experiments in Fluids, 53 (4), 965–987. doi:10.1007/s00348-012-1333-1

High-resolution density of states in graphene with vacancies
Häfner, V.; Seiler, C.; Kondov, I.; Evers, F.
2012. NIC Symp.2012, Jülich, February 7-8, 2012

SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems
Strunk, T.; Wolf, M.; Brieg, M.; Klenin, K.; Biewer, A.; Tristram, F.; Ernst, M.; Kleine, P. J.; Heilmann, N.; Kondov, I.; Wenzel, W.
2012. Journal of computational chemistry, 33 (32), 2602–2613. doi:10.1002/jcc.23089

Preliminary results for the HEPPA-II intercomparison
Versick, S.; Kirner, O.; Funke, B.
2012. 2nd Annual EMAC Symp., Mainz, February 14-16, 2012

Comparison of EMAC model results to satellite observations in the winter 2008/09 within the HEPPA-II intercomparison
Versick, S.; Funke, B.; Gardini, A.; Stiller, G.; Clarmann, T. von; Kirner, O.
2012. European Geosciences Union (EGU) General Assembly, Wien, A, April 22-27, 2012 Geophysical Research Abstracts, 14(2012) EGU2012-7645

The development of ozone in the stratosphere and mesosphere performed in EMAC-long term simulations with different boundary conditions for CO₂, CH₄, N₂O and ODS
Kirner, O.; Ruhnke, R.
2012. European Geosciences Union (EGU) General Assembly, Wien, A, April 22-27, 2012 Geophysical Research Abstracts, 14(2012) EGU2012-7514

Chemistry-climate interaction of stratospheric ozone performed in EMAC-long term simulations with different boundary conditions for greenhouse gases and ozone depletion substances
Kirner, O.; Ruhnke, R.
2012. Quadrennial Ozone Symp.2012, Toronto, CDN, August 27-31, 2012

Chemistry-climate interactions in EMAC-long term simulations with different boundary conditions for CO₂, CH₄, N₂O and ODS
Kirner, O.; Ruhnke, R.
2012. IGAC/SPARC Global Chemistry-Climate Modeling and Evaluation Workshop, Davos, CH, May 21-24, 2012

Diurnal variations of reactive chlorine and nitrogen oxides observed by MIPAS-B inside the January 2010 Arctic vortex
Wetzel, G.; Oelhaf, H.; Kirner, O.; Friedl-Vallon, F.; Ruhnke, R.; Ebersoldt, A.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.
2012. Atmospheric Chemistry and Physics, 12, 6581–6592. doi:10.5194/acp-12-6581-2012

Dataflow management: a grand challenge in multiscale materials modelling
Bozic, S.; Kondov, I.
2012. Proc. of eChallenges e-2012 Conf., Lisboa, P, October 17-19, 2012. Ed.: P. Cunningham, International Information Management Corporation (IIMC)

Workflows for the simulation of organic light-emitting diodes
Bozic, S.; Kondov, I.; Meded, V.; Wenzel, W.
2012. EGI Community Forum 2012, Leibniz Supercomputing Centre,Garching, March 26-30, 2012

Multiscale simulations of complex materials basing on UNICORE workflows
Bozic, S.; Kondov, I.; Meded, V.; Wenzel, W.
2012. Internat.Symp.on Grids and Clouds (ISGC 2012), Teipei, Taiwan, February 26 - March 2, 2012

Chlorine activation and ozone loss as observed by ground-based FTIR measurements at Kiruna since winter 1993/94 and as calculated with model simulations
Blumenstock, T.; Barthlott, S.; Gisi, M.; Hase, F.; Kirner, O.; Kohlhepp, R.; Raffalski, U.; Reddmann, T.; Rex, M.; Ruhnke, R.; Sinnhuber, B. M.
2012. Quadrennial Ozone Symp.2012, Toronto, CDN, August 27-31, 2012

UNICORE based workflows for the simulation of organic light-emitting diodes
Bozic, S.; Kondov, I.; Meded, V.; Wenzel, W.
2012. UNICORE Summit 2012, Dresden, May 30-31, 2012

Exerience with UNICORE services for multiscale materials modeling
Carpene, M.; Bozic, S.; Kondov, I.; Emerson, A.
2012. UNICORE Summit 2012, Dresden, May 30-31, 2012

Dataflow management: a grand challenge in multiscale materials modelling
Bozic, S.; Kondov, I.
2012. eChallenges e-2012 Conf., Lisboa, P, October 17-19, 2012

Charge mobilities of disordered thin films: a multiscale modelling approach
Meded, V.; Maul, R.; Danilov, D.; Kondov, I.; Wenzel, W.
2012. 5th Internat.Conf.on Molecular Materials (MOLMAT 2012), Barcelona, E, July 3-6, 2012

Structure simulation with calculated NMR parameters integrating COSMOS into the CCPN framework
Schneider, O.; Fogh, R. H.; Sternberg, U.; Klenin, K.; Kondov, I.
2012. Gesing, S. [Hrsg.] HealthGrid Applications and Technologies Meet Science Gateways for Life Sciences Amsterdam [u.a.] : IOS Press, 2012 (Studies in Health Technology and Informatics ; 175), 162–172

Protein structure prediction using particle swarm optimization and a distributed parallel approach
Kondov, I.; Berlich, R.
2011. Compilation Proceedings of the 8th IEEEInternat.Conf.on Autonomic Computing (ICAC 2011) and Co-located Workshops ACE’11, BADS’11, IEEMC’11 and OC’11, Karlsruhe, June 14-18, 2011 New York, N.Y. : ACM, 2011 CD-ROM, 35–42

Structure simulation with calculated NMR parameters. Integrating COSMOS into the CCPN framework
Schneider, O.; Fogh, R.; Sternberg, U.; Klenin, K.; Kondov, I.
2012. 4th Internat.Workshop on Science Gateways for Life Sciences, Amsterdam, NL, May 23-25, 2012

Diurnal variations of reactive chlorine and nitrogen oxides observed by MIPAS-B in the Artic in January 2010 and March 2011
Wetzel, G.; Oelhaf, H.; Friedl-Vallon, F.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.
2012. Quadrennial Ozone Symp.2012, Toronto, CDN, August 27-31, 2012

HOCl in the stratosphere
Clarmann, T. von; Funke, B.; Glatthor, N.; Kellmann, S.; Kiefer, M.; Kirner, O.; Sinnhuber, B. M.; Stiller, G.
2012. Quadrennial Ozone Symp.2012, Toronto, CDN, August 27-31, 2012

Diurnal variations of reactive chlorine and nitrogen oxides observed by MIPAS-B in the Artic in January 2010 and March 2011
Wetzel, G.; Oelhaf, H.; Friedl-Vallon, F.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.
2012. European Geosciences Union (EGU) General Assembly, Wien, A, April 22-27, 2012 Geophysical Research Abstracts, 14(2012) EGU2012-4179

Integrated services for multiscale modelling of materials using the UNICORE middleware
Kondov, I.; Bozic, S.; Meded, V.; Wenzel, W.
2012. MAPPER 1st Seasonal School, London, GB, February 1-2, 2012

Parametric optimization in parallel and distributed environments
Berlich, R.; Kondov, I.
2011. CeBIT 2011, Hannover, March 1-5, 2011

EMAC at simulation lab climate and environment
Kirner, O.; Bischoff-Gauss, I.; Versick, S.
2011. 1st Annual EMAC Symp., Oberpfaffenhofen, January 25-27, 2011

The development of the stratospheric polar ozone distribution performed in EMAC-long term simulations with different boundary conditions for CO2, CH4 and N2O
Kirner, O.; Ruhnke, R.
2011. European Geosciences Union (EGU) General Assembly, Wien, A, April 3-8, 2011 Geophysical Research Abstracts, 13(2011) EGU2011-1384

Simulation laboratories for climate sciences and environmental research
Hoffmann, L.; Gibbon, P.; Kirner, O.; Versick, S.
2011. European Geosciences Union (EGU) General Assembly, Wien, A, April 3-8, 2011 Geophysical Research Abstracts, 13(2011) EGU2011-8307-1

Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins
Kondov, I.; Verma, A.; Wenzel, W.
2011. Computational biology and chemistry, 35, 230–239. doi:10.1016/j.compbiolchem.2011.04.012

Observed and simulated trends of HCl, ClONO₂ and HF total column abundances
Kohlhepp, R.; Ruhnke, R.; Chipperfield, M. P.; Maziere, M. de; Notholt, J.; Barthlott, S.; Batchelor, R. L.; Blatherwick, R. D.; Blumenstock, T.; Coffey, M. T.; Duchatelet, P.; Fast, H.; Feng, W.; Goldman, A.; Griffith, D. W. T.; Hamann, K.; Hannigan, J. W.; Hase, F.; Jones, N. B.; Kagawa, A.; Kaiser, I.; Kasai, Y.; Kirner, O.; Kouker, W.; Lindenmaier, R.; Mahieu, E.; Mittermeier, R. L.; Monge-Sanz, B.; Murata, I.; Nakajima, H.; Morino, I.; Palm, M.; Paton-Walsh, C.; Reddmann, T.; Rettinger, M.; Rinsland, C. P.; Rozanov, E.; Schneider, M.; Senten, C.; Sinnhuber, B. M.; Smale, D.; Strong, K.; Sussmann, R.; Taylor, J. R.; Vanhaelewyn, G.; Warneke, T.; Whaley, C.; Wiehle, M.; Wood, S. W.
2011. 2011 NDACC Symp. (Network for the Detection of Atmospheric Composition Change), Saint Paul, Reunion, F, November 7-10, 2011

Integration of COSMOS into the CCPN framework
Klenin, K.; Schneider, O.; Jakovkin, I.; Sternberg, U.; Kondov, I.
2011. CCPN Europa 2011 : Supporting best Practice in Biomolecular NMR, Lisboa, P, September 28-30, 2011

UNICORE-based integrated application services for multiscale materials modeling
Kondov, I.; Maul, R.; Bozic, S.; Meded, V.; Wenzel, W.
2011. Romberg, M. [Hrsg.] UNICORE Summit 2011, Torun, PL, July 7-8, 2011 Proc. Jülich : Forschungszentrum Jülich GmbH, 2011 (Schriften des Forschungszentrums Jülich : IAS Series ; Vol.9) Publ.online, 1–10

Multiscale materials modeling within UNICORE framework
Meded, V.; Kondov, I.; Bozic, S.; Wenzel, W.
2011. Towards a Multi-Scale Multi-Phenomena Modelling : Simulation Design, Engineering Environment and Tools ; Workshop, Bruxelles, B, September 22, 2011

UNICORE-based integrated application services for multiscale materials modeling
Kondov, I.; Maul, R.; Bozic, S.; Meded, V.; Wenzel, W.
2011. UNICORE Summit 2011, Torun, PL, July 7-8, 2011

Integrated services for multiscale materials modelling and simulation
Kondov, I.; Meded, V.; Bozic, S.; Wenzel, W.
2011. 12th ’Trends in Nanotechnology’ Conf. (TNT2011), Tenerife, E, November 21-25, 2011

Simulation Laboratory Earth and Environment
Kirner, O.; Versick, S.; Bischoff-Gauß, I.; Hoffmann, L.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 101–107, KIT Scientific Publishing

All-Atom Replica Exchange Simulations of Denaturant Induced Partial Unfolding of RNaseH
Widmaier, S.; Kondov, I.; Wenzel, W.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 59–66, KIT Scientific Publishing

Highly efficient numerical implementation of the Chalker - Coddington network model and applications
Bera, S.; Evers, F.; Kondov, I.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 47–57, KIT Scientific Publishing

Multiscale materials and biomolecular simulations at Simulation Lab NanoMikro
Kondov, I.; Maul, R.; Klenin, K.; Brieg, M.; Poschlad, A.; Bagrets, A.; Meded, V.; Bozic, S.
2011. Computational Methods in Science and Engineering - Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Ed.: I. Kondov, 5–15, KIT Scientific Publishing

Constraining potentials in computational structure prediction of disulfide-bonded proteins
Kondov, I.; Verma, A.; Wenzel, W.
2011. Workshop on Computer Simulation and Theory of Macromolecules, Hünfeld, April 15- 17, 2011

Multiscale materials modeling using UNICORE
Maul, R.; Kondov, I.; Wenzel, W.; Streit, A.
2011. 23rd Internat.Conf.for High Performance Computing, Networking, Storage and Analysis (SC10), New Orleans, November 13-19, 2010

The simulation laboratory NanoMikro
Maul, R.; Kondov, I.
2011. 23rd Internat.Conf.for High Performance Computing, Networking, Storage and Analysis (SC10), New Orleans, November 13-19, 2010

Simulation laboratory earth and environment
Kirner, O.; Hoffmann, L.; Versick, S.; Bischoff-Gauß, I.
2011. Workshop SimLab @ KIT, Karlsruhe, November 29-30, 2011

Highly efficient numerical implementation of the Chalker-Coddington network model and applications
Bera, S.; Evers, F.; Kondov, I.
2011. Workshop SimLab @ KIT, Karlsruhe, November 29-30, 2011

Workshop Computational Methods in Science and Engineering (SimLabs @ KIT 2010)
Kondov, I.; Poghosyan, G.; Kirner, O.; Schneider, O.; Schmitz, F.
2011. Proceedings, Karlsruhe, Germany, November 29-30, 2010 Karlsruhe : KIT Scientific Publ., 2011

A pipeline pilot based SOAP implementation of FlexScreen for high-throughput virtual screening
Perez-Sanchez, H.; Kondov, I.; Garcia, J. M.; Klenin, K.; Wenzel, W.
2011. 3rd Internat.Workshop on Science Gateways for Life Sciences (IWSG Life 2011), London, GB, June 8-10, 2011

Benchmarkin the POEM @ HOME network for protein structure prediction
Strunk, T.; Anand, P.; Brieg, M.; Wolf, M.; Klenin, K.; Meliciani, I.; Tristram, F.; Kondov, I.; Wenzel, W.
2011. 3rd Internat.Workshop on Science Gateways for Life Sciences (IWSG Life 2011), London, GB, June 8-10, 2011

Computational Methods in Science and Engineering : Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany. Zusatzmaterial
Kondov, I.; Poghosyan, G.; Kirner, O.; Schneider, O.
2011. (F. Schmitz, Ed.)

Protein structure prediction using particle swarm optimization and a distributed parallel approach
Kondov, I.; Berlich, R.
2011. 8th IEEEInternat.Conf.on Autonomic Computing (ICAC 2011), Karlsruhe, June 14-18, 2011

Multiscale materials and biomolecular simulations at simulation lab NanoMikro
Kondov, I.; Maul, R.; Klenin, K.; Brieg, M.; Poschlad, A.; Bagrets, A.; Meded, V.; Bozic, S.
2011. Workshop SimLab @ KIT, Karlsruhe, November 29-30, 2011

Integrated HPC application services for multiscale materials modeling
Kondov, I.; Maul, R.; Bozic, S.; Wenzel, W.
2011. ImagineNano, Bilbao, E, April 11-14, 2011

Computational Methods in Science and Engineering : Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany
Kondov, I.; Poghosyan, G.; Kirner, O.; Schneider, O.
2011. (F. Schmitz, Ed.), KIT Scientific Publishing. doi:10.5445/KSP/1000023323

Multiscale modelling of nanoscale materials and electronic transport
Kondov, I.; Wenzel, W.
2011. CEA-KIT Workshop on Nanotechnology, Saclay, F, March 30 - April 1, 2011 12th ’Trends in Nanotechnology’ Conf. (TNT2011), Tenerife, E, November 21-25, 2011

Reactive chlorine and nitrogen compounds observed by MIPAS-B around sunrise the strong January 2010 Arctic vortex
Wetzel, G.; Oelhaf, H.; Friedl-Vallon, F.; Kirner, O.; Kleinert, A.; Maucher, G.; Nordmeyer, H.; Orphal, J.; Ruhnke, R.
2011. European Geosciences Union (EGU) General Assembly, Wien, A, April 3-8, 2011 Geophysical Research Abstracts, 13(2011) EGU2011-1216

All-atom replica exchange simulations of denaturant induced partial unfolding of RNaseH
Widmaier, S.; Kondov, I.; Wenzel, W.
2010. SimLab @ KIT Workshop, Karlsruhe, November 29-30, 2010

OpusIB cluster - management, monitoring, storage and scheduling
Kondov, I.
2010. 31.Treffen des Arbeitskreises Supercomputing, Offenbach, 19.-20.März 2009

Role of disulfide bonds in protein folding
Kondov, I.
2010. Computer Simulation and Theory of Macromolecules 2009, Hünfeld, April 17-18, 2009

Introduction to parallel computing
Kondov, I.
2010. Parallel Programming Course, Karlsruhe, July 15-16, 2009

Language bindings for MPI and parallel libraries
Kondov, I.
2010. Parallel Programming Course, Karlsruhe, July 15-16, 2009

Multiscale materials modelling on high performance computer architectures
Wenzel, W.; Kondov, I.
2010. 8th e-Infrastructure Concertation Meeting, Geneve, CH, November 4-5, 2010

Simulation laboratory NanoMikro: the partner for joint research using high performance computing
Kondov, I.
2010. Symp.of the KIT Competence field Nanosciences, Karlsruhe, October 16, 2009

High throughput protein structure prediction on distributed high performance architectures
Klenin, K.; Kondov, I.
2010. CiHPC : Competence in High Performance Computing ; HPC Status Konf.der Gauß-Allianz, Schwetzingen, June 22-24, 2010

Simulation laboratory NanoMikro at Steinbuch Centre for Computing
Kondov, I.
2010. High Performance Computing in Science and Engineering : Kick-Off Meeting zum Forschungsprogramm, Stuttgart, 27.Januar 2010

Theoretical study of photoinduced electron transfer processes in the dye-semiconductor system alizarin-TiO₂
Kondov, I.; Li, J.; Wang, H.; Thoss, M.
2010. Titania for all Seasons : CECAM Workshop, Bremen, September 6-10, 2010

Theoretical study of photoinduced electron-transfer processes in the dye-semiconductor system alizarin-TiO₂
Li, J.; Kondov, I.; Wang, H.; Thoss, M.
2010. Journal of Physical Chemistry C, 114, 18481–493. doi:10.1021/jp104335k

Multiscale modelling of structure and electronic transport in multifunctional materials
Maul, R.; Kondov, I.; Wenzel, W.
2010. 5th Internat.Conf.on Multiscale Materials Modelling (MMM 2010), Freiburg, October 4-8, 2010

Bromine nitrate (BrONO₂): the new MIPAS climatology 2002-2010
Höpfner, M.; Orphal, J.; Kirner, O.; Rozanov, A.; Ruhnke, R.; Sinnhuber, M.; Sinnhuber, B. M.; Stiller, G.; Clarmann, T. von
2010. 38th COSPAR Scientific Assembly, Bremen, July 18-25, 2010

High-Throughput Proteinstrukturvorhersage auf hybriden und verteilten Höchstleistungs-Architekturen
Strunk, T.; Kondov, I.; Klenin, K.; Wenzel, W.
2010. High Performance Computing in Science and Engineering : Kick-Off Meeting zum Forschungsprogramm, Stuttgart, 27.Januar 2010

First remote sensing measurements of ClOOCl along with ClO and ClONO₂ in activated and deactivated Arctic vortex conditions using new ClOOCl IR absorption cross sections
Wetzel, G.; Oelhaf, H.; Kirner, O.; Ruhnke, R.; Friedl-Vallon, F.; Kleinert, A.; Maucher, G.; Fischer, H.; Birk, M.; Wagner, G.; Engel, A.
2010. Atmospheric Chemistry and Physics, 10 (3), 931–945. doi:10.5194/acp-10-931-2010

MIPAS-B observations inside a weak Arctic vortex in late winter 2009 compared to EMAC simulations
Wetzel, G.; Oelhaf, H.; Kirner, O.; Ruhnke, R.; Friedl-Vallon, F.; Kleinert, A.; Maucher, G.; Nordmeyer, H.
2010. European Geosciences Union (EGU) General Assembly, Wien, A, May 2-7, 2010 Geophysical Research Abstracts, 12(2010) EGU2010-2836-1

Folding path and funnel scenarios for two small disulfide-bridged proteins
Kondov, I.; Verma, A.; Wenzel, W.
2009. Biochemistry, 48, 8195–8205. doi:10.1021/bi900702m

Stratospheric bromine nitrate (BrONO₂) 2002-2009: The MIPAS/Envisat climatology
Höpfner, M.; Orphal, J.; Clarmann, T. von; Stiller, G.; Kirner, O.; Ruhnke, R.
2009. 5th SCOUT-O₃ Annual Meeting, Schliersee, June 15-17, 2009

HOCl chemistry in the Antarctic stratospheric vortex 2002, as observed with the Michelson interferometer for passive atmospheric sounding (MIPAS)
Clarmann, T. von; Glatthor, N.; Ruhnke, R.; Stiller, G. P.; Kirner, O.; Reddmann, T.; Höpfner, M.; Kellmann, S.; Kouker, W.; Linden, A.; Funke, B.
2009. Atmospheric chemistry and physics, DOI:10.5194/acp-9-1817-2009, 9, 1817–1829. doi:10.5194/acp-9-1817-2009

Chemical processing and transport of O₃, CO, H₂O acetone, and acetonitrile in the UT/LMS inferred from long-term, high-resolution observations onboard the CARIBIC passenger aircraft
Zahn, A.; Sprung, D.; Kirner, O.; Ruhnke, R.; Slemr, F.; Schuck, T.; Brenninkmeijer, C. A. M.
2008. Bridging the Scales in Atmospheric Chemistry : Local to Global, IGAC 10th Internat.Conf., Annecy, F, September 7-12, 2008

Prozessstudien der stratosphärischen Chemie und Dynamik mit Hilfe des Chemie-Klima-Modells ECHAM5/MESSy1. PhD dissertation
Kirner, O.
2008. Universität Karlsruhe (TH). doi:10.5445/IR/1000010199

Ground- and excited-state properties of the mixed-valence complex [(NH₃)₅Rusup(I)sup(I)sup(I)NCRusup(I)sup(I)(CN)₅]⁻
Kondov, I.; Vallet, V.; Wang, H. B.; Thoss, M.
2008. Journal of Physical Chemistry A, 112, 5467–77. doi:10.1021/jp801017m

Dispersion of traffic exhausts in urban street canyons with tree plantings - Experimental and numerical investigations
Gromke, C.; Denev, J.; Ruck, B.
2007. International Workshop on Physical Modelling of Flow and Dispersion Phenomena, PHYSMOD 2007, Orléans, France, 121–128, Presses universitaires d’Orléans

Tertiary structure prediction of proteins with disulfide bridges
Kondov, I.; Verma, A.; Wenzel, W.
2007. Workshop ’Methods of Molecular Simulation’ (MMS06), Heidelberg, September 20-22, 2006

Folding and structure prediction of proteins containing disulfide bridges
Kondov, I.; Verma, A.; Wenzel, W.
2007. Hansmann, U.H.E. [Hrsg.] From Computational Biophysics to Systems Biology (CBSB07) : Proc.of the NIC Workshop 2007, Jülich, May 2-4, 2007 Jülich : John von Neumann Institute for Computing, 2007 (NIC Series ; 36)

Opussup(I)sup(B) - Grid enabled Opteron cluster with InfiniBand interconnect
Schneider, O.; Schmitz, F.; Kondov, I.; Brandel, T.
2007. Kagström, B. [Hrsg.] State of the Art in Scientific Computing : 8th Internat.Workshop, PARA 2006, Umea, S, June 18-21, 2006 Revised Selected Papers Berlin [u.a.] : Springer, 2007 (Lecture Notes in Computer Science ; 4699), 840–49

A model study of the January 2006 low total ozone episode over Western Europe and comparison with ozone sonde data
Mangold, A.; Grooß, J. U.; Ruhnke, R.; Kirner, O.; Backer, H. de; Müller, R.
2007. European Geosciences Union (EGU) General Assembly, Wien, A, April 15-20, 2007

First ECHAM5-MESSy1 simulation results performed with a new PSC parameterisation and comparison with MIPAS-ENVISAT data
Ruhnke, R.; Kirner, O.; Höpfner, M.; Stiller, G.
2007. Chemistry-Climate Model Validation Activity for SPARC (CCMVal), Workshop 2007, Leeds, GB, June 26-28, 2007

Large eddy simulation of a jet in crossflow
Fröhlich, J.; Denev, J.; Bockhorn, H.
2004. Plenary sessions, invited parallel sessions, contributed sessions and posters. Proc. of 4th ECCOMAS Conference, Jyvaskyla, Finland, 24.-28.7.2004. Bd. 1, CD-ROM, Univ. of Jyväskylä

Evaluation of mixing and chemical reactions within a jet in crossflow by means of LES
Denev, J.; Fröhlich, J.; Bockhorn, H.
2005. Proc. of European Combustion Meeting, Louvain, Belgium, 3.-6.4.2005, 0000

Structure and mixing of a swirling transverse jet into a crossflow
Denev, J.; Fröhlich, J.; Bockhorn, H.
2005. Proceedings of 4th Internationala Symposium on Turbulent Shear Flow Phenomena, Williamsburg, June 27-29, 2005. Hrsg.: J.A.C. Humphrey; T.B. Gatski, 1255–1260

On the impact of tangential grid refinement on subgrid-scale modelling in large eddy simulation
Fröhlich, J.; Denev, J.; Hinterberger, C.; Bockhorn, H.
2005. Proceedings of 5th International Conference on Large Scale Scientific Computing, June 6-10, Sozopol, Bulgaria, 2005, 0000

The influence of nudging and different model resolutions on the distribution of stratospheric substances as simulated with MESSy (version 0.9)
Kirner, O.; Ruhnke, R.
2005. Process Oriented Validation of Coupled Chemistry-Climate Models (CCMVal 2005), Boulder, Colo., October 17-19, 2005