The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems

Journal of Chemical Physics

Volumn 136, Issue 19, 2012, Pages

  Das, Avisek ^a,c   Lu, Lanyuan ^b,d   Andersen, Hans C ^a   Voth, Gregory A ^b  

^a STANFORD UNIVERSITY   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

^c UNIVERSITY OF CHICAGO   (United States)

^d NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC DATA; ATOMISTIC MODELS; BASIS SETS; CANONICAL DISTRIBUTIONS; COARSE GRAINED MODELS; COARSE GRAINING; COARSE-GRAINED; COARSE-GRAINED POTENTIAL; COARSE-GRAINING METHOD; CONFIGURATION SPACE; DATA SETS; IMPROVED ALGORITHM; MOLECULAR SYSTEMS; MULTISCALES; NONBONDED INTERACTION; POTENTIAL OF MEAN FORCE; SIMULATION DATA; STATISTICAL ERRORS; TEST SYSTEMS; VARIATIONAL APPROXIMATION; VARIATIONAL CALCULATION;

VARIATIONAL TECHNIQUES;

COMPUTER SIMULATION;

EID: 84861716987     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4705420     Document Type: Article

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