Accurate and efficient integration for molecular dynamics simulations at constant temperature and pressure

Journal of Chemical Physics

Volumn 139, Issue 16, 2013, Pages

  Lippert, Ross A ^a   Predescu, Cristian ^a   Ierardi, Douglas J ^a   Mackenzie, Kenneth M ^a   Eastwood, Michael P ^a   Dror, Ron O ^a   Shaw, David E ^a,b  

^a D E SHAW RESEARCH   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER PROCESSORS; CONSTANT TEMPERATURE; INTEGRATION PROCEDURE; MOLECULAR DYNAMICS SIMULATIONS; SOFTWARE COMPLEXITY; SOFTWARE MODULARITY; SPECIAL-PURPOSE HARDWARES; TEMPERATURE AND PRESSURES;

COMPUTER SIMULATION; MOLECULAR DYNAMICS;

THERMOSTATS;

ARTICLE; ARTIFACT; MOLECULAR DYNAMICS; PRESSURE; TEMPERATURE;

ARTIFACTS; MOLECULAR DYNAMICS SIMULATION; PRESSURE; TEMPERATURE;

EID: 84887279441     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4825247     Document Type: Article

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