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

R. Ebrahimi Viand, Felix Höfling, R. Klein, and L. Delle Site Theory and Simulation of Open Systems out of Equilibrium

arXiv

Felix Höfling and S. Dietrich Finite-size corrections for the static structure factor of a liquid slab with open boundaries DOI
Tobias Kramer Transient capture of electrons in magnetic fields, or: comets in the restricted three-body problem BibTeX
arXiv
DOI
Margaux Hoang, Philippe Garnier, Jeremie Lasue, Henri Rème, Maria Teresa Capria, Kathrin Altwegg, Matthias Läuter, Tobias Kramer, Martin Rubin Investigating the Rosetta/RTOF observations of comet 67P/Churyumov-Gerasimenko using a comet nucleus model: Influence of dust mantle and trapped CO BibTeX
DOI
Matthias Läuter, Tobias Kramer, Martin Rubin, Kathrin Altwegg The gas production of 14 species from comet 67P/Churyumov-Gerasimenko based on DFMS/COPS data from 2014-2016 BibTeX
arXiv
DOI
Arthur V. Straube, Bartosz G. Kowalik, Roland R. Netz, Felix Höfling Rapid onset of molecular friction in liquids bridging between the atomistic and hydrodynamic pictures BibTeX
DOI
Ralph L. Stoop, Arthur V. Straube, Tom H. Johansen, Pietro Tierno Collective directional locking of colloidal monolayers on a periodic substrate BibTeX
DOI
Arthur V. Straube, Josep M. Pagès, Pietro Tierno, Jordi Ignés-Mullol, Francesc Sagués Collective dynamics and conformal ordering in electrophoretically driven nematic colloids BibTeX
DOI
Joshua L. Abbott, Arthur V. Straube, Dirk G. A. L. Aarts, Roel P. A. Dullens Transport of a colloidal particle driven across a temporally oscillating optical potential energy landscape BibTeX
DOI
Manuel Dibak, Christoph Fröhner, Frank Noé, Felix Höfling Diffusion-influenced reaction rates in the presence of pair interactions BibTeX
DOI
arXiv
Eric Heller, Ragnar Fleischmann, Tobias Kramer Branched Flow BibTeX
arXiv
Tobias Kramer, Mirta Rodríguez Effect of disorder and polarization sequences on two-dimensional spectra of light harvesting complexes BibTeX
arXiv
DOI
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