Qi Zhou

RBMD 2.0: Random batch molecular dynamics package for large-scale simulations on multi-GPU architectures

RBMD 2.0, a major new release of the random batch molecular dynamics package designed for cross-node multi-GPU simulations of large-scale systems, combines the improved random batch Ewald method with three-dimensional domain decomposition and ghost-particle communication to accelerate multi-GPU nonbonded force evaluati...