Members Multiscale Biomolecular Simulation Group


Alexander Schug


PhD Students


Momin Ahmad

Momin tries to understand and analyse the properties of Metal Organic Frameworks (MOFs) by doing MD simulations in GROMACS with the aim to improve materials for biological and medical applications.

Fathia Idiris

Fathia works in the field of computational chemistry. She tries to develop a multi-scale computational framework to simulate enzymatic processes and related large-scale conformational transitions using the example of sensor histidine kinases.




Mehari B. Zerihun

Mehari studies RNA structure prediction using couplings derived from co-evolutionary methods.

Arthur Voronin

Arthur works on protein structure prediction by integration of co-evolutionary data into explicit-solvent molecular dynamics simulations.


Marie Weiel-Potyagaylo

Marie works on the integration of the limited information from small-angle X-ray scattering into molecular dynamics simulations.

Oskar Taubert

Oskar works on novel memory-intensive machine learning techniques for protein phenotype prediction.


Jakob Rosenbauer

Jakob works on simulations of cell-resolved tissue dynamics. Using the cellular Potts model, he tries to describe pattern formations and conformation changes in tissue in cases like embryogenesis and tumor growth. As a member of the NIC research group "Computational Structural Biology", his regular workplace is at Forschungszentrum Jülich.

Julian Herold

Julian joined our group in July 2020. His regular workplace is here at SCC in Karlsruhe.




We have always openings for Bachelor and Master students. Please contact us if you are interested.




Emanuel Peter

Emanuel works on 3-dimensional structure prediction of RNA using Direct Coupling Analysis (DCA) methodologies. He develops novel approaches of DCA to improve its capacities in the contact prediction of functional RNA. As a member of the NIC research group "Computational Structural Biology", his regular workplace is at Forschungszentrum Jülich.





Dr. Fabrizio Pucci

Dr. Ines Reinartz 2014-2019

Dr. Ilaria Mereu 2014-2015

Dr. Shalini John Lovis 2014-2015

Dr. Abhinav Verma 2011-2013 (now Shell India)

PhD Students

Dr. Claude Sinner 2011-2017

Dr. Benjamin Lutz 2011-2014 (now LuK Germany)

Diploma Students

Sebastian Ratz 2014-2015 (now SAP Germany)

Master Students

Jakob Rosenbauer 2016-2017 (now PhD at Forschungszentrum Jülich)

Bachelor Students

Lars Franke 2018

Linda Neubrand 2017

Fabian Nagel 2015


Ramneek Singh (finishing his studies at Indian Institute of Technology (IIT), Kharagpur, India) 

Harsh Bajaj (finishing his studies at  Indian Institute of Technology (IIT), Kharagpur, India)