78 citations · 162 across the 5 of their papers we have counts for
5 papers
ms2: A molecular simulation tool for thermodynamic properties, new version release
Colin W. Glass, Steffen Reiser, Gábor Rutkai +9
A new version release (2.0) of the molecular simulation tool ms2 [S. Deublein et al., Comput. Phys. Commun. 182 (2011) 2350] is presented. Version 2.0 of ms2 features a hybrid para…
ls1 mardyn: The massively parallel molecular dynamics code for large systems
Christoph Niethammer, Stefan Becker, Martin Bernreuther +9
The molecular dynamics simulation code ls1 mardyn is presented. It is a highly scalable code, optimized for massively parallel execution on supercomputing architectures, and curren…
Static and dynamic properties of curved vapour-liquid interfaces by massively parallel molecular dynamics simulation
Martin T. Horsch, Svetlana K. Miroshnichenko, Jadran Vrabec +5
Curved fluid interfaces are investigated on the nanometre length scale by molecular dynamics simulation. Thereby, droplets surrounded by a metastable vapour phase are stabilized in…
Poiseuille flow of liquid methane in nanoscopic graphite channels by molecular dynamics simulation
Martin Horsch, Jadran Vrabec, Martin Bernreuther +1
MD simulations of methane confined between graphite walls with up to 4,800,000 interaction sites, i.e., carbon atoms and methane molecules, are conducted, where the channel width i…
Homogeneous nucleation in supersaturated vapors of methane, ethane, and carbon dioxide predicted by brute force molecular dynamics
Martin Horsch, Jadran Vrabec, Martin Bernreuther +5
Molecular dynamics (MD) simulation is applied to the condensation process of supersaturated vapors of methane, ethane, and carbon dioxide. Simulations of systems with up to a milli…