Symplectic molecular dynamics simulations on specially designed parallel computers

Journal of Chemical Information and Modeling

Volumn 45, Issue 6, 2005, Pages 1600-1604

  Borštnik, Urban ^a   Janežič, Dušanka ^a  

^a NATIONAL INSTITUTE OF CHEMISTRY   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; INTEGRATION; MOLECULAR VIBRATIONS; NATURAL FREQUENCIES; PARALLEL PROCESSING SYSTEMS; PROGRAM PROCESSORS;

LOW-FREQUENCY MOTION; SIMULATION TIME; SPLIT INTEGRATION SYMPLECTIC METHOD (SISM);

MOLECULAR DYNAMICS;

WATER;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMISTRY; CLUSTER ANALYSIS; COMPUTER SIMULATION; ELECTROCHEMISTRY;

ALGORITHMS; CLUSTER ANALYSIS; COMPUTER SIMULATION; ELECTROCHEMISTRY; MODELS, CHEMICAL; WATER;

EID: 29044447721     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050216q     Document Type: Conference Paper

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