Complex materials arise when different types and states of matter interact such that dynamic processes occur on many spatial and temporal scales. The simulation of complex materials requires new computational approaches, which bridge all scales.

We focus on the development and implementation of highly parallel and scalable computational algorithms, targeting innovative HPC architectures, which are then applied to physical, chemical, and biological systems.

 

 

 

 

 

 

 

 

 

 

Publications

Luigi Delle Site, Christian Krekeler, John Whittaker, Animesh Agarwal, Rupert Klein, Felix Höfling Molecular Dynamics of Open Systems: Construction of a Mean‐Field Particle Reservoir BibTeX
DOI
Tobias Kramer, Matthias Läuter, Stubbe Hviid, Laurent Jorda, Horst Uwe Keller, Ekkehard Kührt Comet 67P/Churyumov-Gerasimenko rotation changes derived from sublimation induced torques BibTeX
arXiv
DOI
Mirta Rodríguez, Tobias Kramer Machine Learning of Two-Dimensional Spectroscopic Data BibTeX
DOI
arXiv
Tobias Kramer, Matthias Läuter Outgassing induced acceleration of comet 67P/Churyumov-Gerasimenko BibTeX
arXiv
DOI
Matthias Läuter, Tobias Kramer, Martin Rubin, Kathrin Altwegg Surface localization of gas sources on comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data BibTeX
DOI
arXiv