The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Das, Avisek ^a   Andersen, Hans C ^a  

^a STANFORD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVITY; ATOMISTIC SIMULATIONS; BASIS FUNCTIONS; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; COARSE-GRAINED POTENTIAL; COARSE-GRAINING METHOD; DETAILED MODELS; HIGH CONCENTRATION; LENNARD-JONES PARTICLES; MANY-BODY; MANY-BODY POTENTIALS; MD SIMULATION; MOLE FRACTION; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALE; POTENTIAL FUNCTION; SIMPLE MODEL; SOLUTE CONCENTRATIONS; STATISTICAL SAMPLING; VARIATIONAL CALCULATION; VARIATIONAL SOLUTIONS;

MOLECULAR DYNAMICS; SAMPLING; VARIATIONAL TECHNIQUES;

SIMULATORS;

EID: 67651236198     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3173812     Document Type: Article

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