106 citations · 824 across the 47 of their papers we have counts for
48 papers
Cyclic Data Streaming on GPUs for Short Range Stencils Applied to Molecular Dynamics
Martin Rose, Simon Homes, Lukas Ramsperger +3
In the quest for highest performance in scientific computing, we present a novel framework that relies on high-bandwidth communication between GPUs in a compute cluster. The framew…
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…
Connecting Entropy Scaling and Density Scaling
Ian Bell, Robin Fingerhut, Jadran Vrabec +1
It is shown that the residual entropy (entropy minus that of the ideal gas at the same temperature and density) is mostly synonymous with the independent variable of density scalin…
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…
Semantic interoperability and characterization of data provenance in computational molecular engineering
M. T. Horsch, C. Niethammer, G. Boccardo +11
By introducing a common representational system for metadata that describe the employed simulation workflows, diverse sources of data and platforms in computational molecular engin…
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…