106 citations · 824 across the 47 of their papers we have counts for
10 papers · 1 filter
Scope of physics-based simulation artefacts
Martin Thomas Horsch, Fadi Al Machot, Jadran Vrabec
Data and metadata documentation requirements for explainable-AI-ready (XAIR) models and data in physics-based simulation technology are discussed by analysing different perspective…
Comparison of Macro- and Microscopic Solutions of the Riemann Problem II. Two-Phase Shock Tube
Timon Hitz, Steven Joens, Matthias Heinen +2
The Riemann problem is one of the basic building blocks for numerical methods in computational fluid mechanics. Nonetheless, there are still open questions and gaps in theory and m…
MolMod: An open access database of force fields for molecular simulations of fluids
Simon Stephan, Martin Thomas Horsch, Jadran Vrabec +1
The MolMod database is presented, which is openly accessible at http://molmod.boltzmann-zuse.de/ and contains presently intermolecular force fields for over 150 pure fluids. It was…
Long range correction for multi-site Lennard-Jones models and planar interfaces
Stephan Werth, Gábor Rutkai, Martin Horsch +2
A slab based long range correction approach for multi-site Lennard-Jones models is presented for systems with a planar film geometry that is based on the work by Janecek, J. Phys.…
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…
Development of models and methods for the molecular simulation of large systems and molecules
Jonathan Walter, Thorsten Merker, Martin Horsch +2
The most important factor for quantitative results in molecular dynamics simulation are well developed force fields and models. In the present work, the development of new models a…