1.2k citations · 2.2k across the 2 of their papers we have counts for
2 papers
physics.comp-ph2020★ 966 cited
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS
Szilárd Páll, Artem Zhmurov, Paul Bauer +5
The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude perfor…
cs.CE2015★ 1.2k cited
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS
Páll Szilárd, Mark James Abraham, Carsten Kutzner +2
GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and mu…