Molecular dynamics for very large systems on massively parallel computers: The MPSim program.
Kian-Tat LimSharon BrunettMihail IotovRichard B. McClurgNagarajan VaidehiSiddharth DasguptaStephen TaylorWilliam A. Goddard IIIPublished in: J. Comput. Chem. (1997)