Dr. Torsten Stuehn

Torsten Stuehn studied physics at the Johannes Gutenberg University of Mainz, Germany and the Aix Marseille University, France. He got his diploma in Mainz in 1999 in the field of computer simulations of condensed matter systems in the group of Prof. Kurt Binder. He continued working in the same group collaborating with the Schott AG, Mainz on molecular dynamics simulations of amorphous-crystalline silica interfaces and got his PhD in 2005. He joined the Theory Department of the MPI-P in 2003 as scientific support for computational physics and was closely involved in the development of the scientific software packages of the group (e.g. ESPResSo and later ESPResSo++ in collaboration with Fraunhofer SCAI). In 2009 he became a group leader in the theory department maintaining the overall IT and HPC infrastructure of the department. Since 2014 he is the head of IT and HPC software development of the institute. In collaborations with the University of Mainz and the Max Planck Compute and Data Facility (MPCDF) in Garching he is working on load balancing problems for exascale computing and on the implementation of new simulation and analysis methods into ESPResSo++.

Research Interests

Scientific software development has become an important pillar within the theory group during the last decade. Besides new scientific methods (e.g. Adaptive Resolution) the challenges of modern Exascale HPC initiatives have to be matched by advanced algorithms and new software designs in order to be able to maintain a leading position within the field. We therefore concentrate on the development and implementation of new methods and algorithms (e.g. neural network based force fields) and further advancements in load balancing methods on exascale HPC architectures.
ESPResSo++ is one of the central software packages of the Transregio SFB 146 and also part of the software pool of the European E-CAM project.

Publications

1.
Halverson, J. D.; Brandes, T.; Lenz, O.; Arnold, A.; Bevc, S.; Starchenko, V.; Kremer, K.; Stuehn, T.; Reith, D.: ESPResSo++: A modern multiscale simulation package for soft matter systems. Computer Physics Communications 184 (4), pp. 1129 - 1149 (2013)
2.
Guzman, H. V.; Junghans, C.; Kremer, K.; Stuehn, T.: Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes. Physical Review E 96 (5), 053311 (2017)
3.
Guzman, H. V.; Tretyakov, N.; Kobayashi, H.; Fogarty, A. C.; Kreis, K.; Krajniak, J.; Junghans, C.; Kremer, K.; Stühn, T.: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation. Computer Physics Communications 238, pp. 66 - 76 (2019)
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