Algorithm optimization in molecular dynamics simulation

Computer Physics Communications

Volumn 177, Issue 7, 2007, Pages 551-559

  Wang, Di Bao ^a   Hsiao, Fei Bin ^a   Chuang, Cheng Hsin ^b   Lee, Yung Chun ^a  

^a NATIONAL CHENG KUNG UNIVERSITY   (Taiwan)

^b SOUTHERN TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Taiwan)

Author keywords

Algorithm; Molecular dynamics; Neighbor list; Optimization

Indexed keywords

ALGORITHMS; COMPUTATIONAL EFFICIENCY; COMPUTER SIMULATION; OPTIMIZATION;

INTER-ATOMIC FORCES; NEIGHBOR LIST; VERLET CELL-LINKED LIST (VCL) ALGORITHM;

MOLECULAR DYNAMICS;

EID: 34548311853     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2007.05.009     Document Type: Article

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