2 citations · 2 across the 3 of their papers we have counts for
5 papers
Tuning of Vectorization Parameters for Molecular Dynamics Simulations in AutoPas
Luis Gall, Samuel James Newcome, Fabio Alexander Gratl +3
Molecular Dynamics simulations can help scientists to gather valuable insights for physical processes on an atomic scale. This work explores various techniques for SIMD vectorizati…
The Multiple Time-Stepping Method for 3-Body Interactions in High Performance Molecular Dynamics Simulations
David Martin, Samuel James Newcome, Markus Mühlhäußer +3
Understanding the complex behavior of molecular systems is fundamental to fields such as physics, materials science, and biology. Molecular dynamics (MD) simulations are crucial to…
Algorithm Selection in Short-Range Molecular Dynamics Simulations
Samuel James Newcome, Fabio Alexander Gratl, Manuel Lerchner +3
Numerous algorithms and parallelisations have been developed for short-range particle simulations; however, none are optimally performant for all scenarios. Such a concept led to t…
Investigation of the Robustness of Neural Density Fields
Jonas Schuhmacher, Fabio Gratl, Dario Izzo +1
Recent advances in modeling density distributions, so-called neural density fields, can accurately describe the density distribution of celestial bodies without, e.g., requiring a…
Deterministic Conjunction Tracking in Long-term Space Debris Simulations
Pablo Gómez, Fabio Gratl, Oliver Bösing +1
Numerical simulations are at the center of predicting the space debris environment of the upcoming decades. In light of debris generating events, such as continued anti-satellite w…