Modified force decomposition algorithms for calculating three-body interactions via molecular dynamics

Computer Physics Communications

Volumn 175, Issue 11-12, 2006, Pages 683-691

  Li, Jianhui ^a   Zhou, Zhongwu ^a   Sadus, Richard J ^a  

^a SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

Force decomposition; Load balance; Molecular dynamics; Parallel computing; Three body interactions

Indexed keywords

ALGORITHMS; MOLECULAR DYNAMICS; PARALLEL PROCESSING SYSTEMS; PARAMETER ESTIMATION; PROBLEM SOLVING;

FORCE DECOMPOSITION (FD); LOAD BALANCE; THREE BODY INTERACTIONS;

FORCE MEASUREMENT;

EID: 33751198264     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2006.06.011     Document Type: Article

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