252 citations · 629 across the 33 of their papers we have counts for
8 papers · 1 filter
Adaptive Parallel-in-Time Integration with Dynamic Resource Management
Keerthi Gaddameedi, Dominik Huber, Martin Schreiber +4
As computational resources continue to grow, the strong-scaling limitations of spatial parallelism motivate the pursuit of additional concurrency in the temporal dimension, particu…
Embedding-based Methods for Linear Solver Performance Prediction
Hayden Liu Weng, Hans-Joachim Bungartz, Felix Dietrich
The solution of large, sparse linear systems often dominates the computational effort of scientific applications and is a frequent optimization target. Modern libraries provide num…
Linked Cell Traversal Algorithms for Three-Body Interactions in Molecular Dynamics
Jose Alfonso Pinzon Escobar, Markus Mühlhäußer, Hans-Joachim Bungartz +1
In this work, algorithms for the parallel computation of three-body interactions in molecular dynamics are developed. While traversals for the computation of pair interactions are…
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…
Computational steering of complex flow simulations
Atanas Atanasov, Hans-Joachim Bungartz, Jérôme Frisch +4
Computational Steering, the combination of a simulation back-end with a visualisation front-end, offers great possibilities to exploit and optimise scenarios in engineering applica…