113 citations · 134 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2010★ 21 cited
General-purpose molecular dynamics simulations on GPU-based clusters
Christian R. Trott, Lars Winterfeld, Paul S. Crozier
We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of L…
physics.bio-ph2001★ 113 cited
Model Channel Ion Currents in NaCl - SPC/E Solution with Applied-Field Molecular Dynamics
Paul S. Crozier, Douglas Henderson, Richard L. Rowley +1
Using periodic boundary conditions and a constant applied field, we have simulated current flow through an 8.125 Angstrom internal diameter, rigid, atomistic channel with polar wal…