ls1 mardyn Selected for Software Sustainability Project (2021)

Our software ls1 mardyn has been selected for funding by the German Research Foundation (DFG) in the scope of a call for scientific software sustainability. We thank DFG for the support and look forward to more hands-on work in ls1 mardyn in the next years!

World Record of largest Molecular Dynamics Simulation (2019)

The previous world record simulation held by ls1 has been superseded by a 20 trillion atom run, again by ls1, on the supercomputer Hazel Hen/HLRS, fostering new data structures, OpenMP parallelization schemes and code refactoring. See publication for more details.

Molecular Physics Early Career Researcher Prize (2014)

In recognition of his work on a long-range correction for multi-site Lennard-Jones models and planar interfaces (2014), Molecular Physics 112 (17): 2227-2234, Stephan Werth was awarded the 2014 Molecular Physics Early Career Researcher Prize. Congratulations!


Molecular dynamics world record (2013)

We made it! A team led by Wolfgang Eckhardt and Alexander Heinecke broke the world record in system size for MD simulations and simulated over four trillion molecules on the SuperMUC using ls1 mardyn (previous record: about one trillion molecules). Congratulations!


K. Ruud (left) honours the new world record with the PRACE ISC 2013 Prize. Recipients: W. Eckhardt, J. Vrabec, A. Heinecke, M. Horsch, A. Bode.