A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations

Computer Physics Communications

Volumn 178, Issue 2, 2008, Pages 73-87

  Nomura, Ken ichi ^a   Kalia, Rajiv K ^a   Nakano, Aiichiro ^a   Vashishta, Priya ^a  

^a Department of Physics and Astronomy ^*  (United States)

Author keywords

Molecular dynamics; Parallel computing; Reactive force field

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ITERATIVE METHODS; MOLECULAR DYNAMICS; PARALLEL ALGORITHMS; PARALLEL PROCESSING SYSTEMS;

LINKED-LIST CELLS; PARALLEL EFFICIENCY; REACTIVE FORCE FIELDS; TIME-STEP INTEGRATORS;

CHEMICAL REACTIONS;

EID: 37249045991     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.08.014     Document Type: Article

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