Massively parallel chemical potential calculation on graphics processing units

Computer Physics Communications

Volumn 183, Issue 10, 2012, Pages 2054-2062

  Daly, Kevin B ^a   Benziger, Jay B ^a   Debenedetti, Pablo G ^a   Panagiotopoulos, Athanassios Z ^a  

^a Princeton University   (United States)

Author keywords

Free energy; Graphics processing units; Monte Carlo methods; Phase equilibria

Indexed keywords

BENNETT'S METHODS; CODE RUNNING; CPU TIME; ENERGY METHOD; GPU IMPLEMENTATION; GRAPHICS PROCESSING UNIT; GRAPHICS PROCESSING UNITS; INTERACTING SYSTEM; LIQUID WATER; MOLECULAR SIMULATIONS; MONTE CARLO; OPTIMAL NUMBER; PARALLEL COMPUTATION; PARALLEL EXECUTIONS; PERFORMANCE COSTS; SAMPLING EFFICIENCY; SINGLE CPU; SMALL MOLECULES;

CHEMICAL POTENTIAL; COMPUTER GRAPHICS; EFFICIENCY; FREE ENERGY; MOLECULAR DYNAMICS; OPTIMIZATION; PHASE EQUILIBRIA; PROGRAM PROCESSORS;

MONTE CARLO METHODS;

EID: 84863083602     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2012.05.006     Document Type: Article

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