The multiscale coarse-graining method: Assessing its accuracy and introducing density dependent coarse-grain potentials

Journal of Chemical Physics

Volumn 133, Issue 6, 2010, Pages

  Izvekov, Sergei ^a   Chung, Peter W ^a   Rice, Betsy M ^a  

^a U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMBIENT TEMPERATURES; COARSE GRAINING; COARSE-GRAINING METHOD; DENSITY DEPENDENT; FREE ENERGY SURFACE; FREE-ENERGY LANDSCAPE; GENERALIZED FORCE; GRAIN POTENTIAL; LIMIT STATE; LIQUID STATE; MULTISCALES; NITROMETHANE; POTENTIAL OF MEAN FORCE; PRESSURE CORRECTION; PRESSURE DIFFERENCES; SHOCKED STATE; STRUCTURE-BASED; THERMODYNAMIC CONDITIONS; THERMODYNAMIC STATE; WORKED EXAMPLES;

COMPUTER SIMULATION; FREE ENERGY; TEMPERATURE; THERMODYNAMICS;

CRYSTAL STRUCTURE;

EID: 77955729387     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3464776     Document Type: Article

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