687 citations · 808 across the 7 of their papers we have counts for
Showing physics.comp-phShow all
2 papers · 1 filter
physics.comp-ph2023★ 22 cited
PySAGES: flexible, advanced sampling methods accelerated with GPUs
Pablo F. Zubieta Rico, Ludwig Schneider, Gustavo R. Pérez-Lemus +11
Molecular simulations are an important tool for research in physics, chemistry, and biology. The capabilities of simulations can be greatly expanded by providing access to advanced…
physics.comp-ph2014★ 687 cited
Strong scaling of general-purpose molecular dynamics simulations on GPUs
Jens Glaser, Trung Dac Nguyen, Joshua A. Anderson +5
We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.55…