SCOPUS 정보 검색 플랫폼

Volumn 150, Issue 151, 1998, Pages 41-49

Precision and accuracy of staged free-energy perturbation methods for computing the chemical potential by molecular simulation

(2) Kofke, David A a Cummings, Peter T b,c

a the State University of New York (United States)

b University of Tennessee Knoxville (United States)

c OAK RIDGE NATIONAL LABORATORY (United States)

Author keywords

Chemical potential; Method of calculation; Molecular simulation

Indexed keywords

COMPUTATIONAL METHODS; COMPUTER SIMULATION; ENTROPY; FREE ENERGY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES;

CHEMICAL POTENTIAL; LENNARD-JONES MODEL;

PHASE EQUILIBRIA;

CHEMICAL PROPERTY;

EID: 0032173123 PISSN: 03783812 EISSN: None Source Type: Journal
DOI: 10.1016/s0378-3812(98)00274-x Document Type: Article

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