Exploring the utility of coarse-grained water models for computational studies of interfacial systems

Molecular Physics

Volumn 108, Issue 15, 2010, Pages 2007-2020

  He, Xibing ^a   Shinoda, Wataru ^b   Devane, Russell ^c   Klein, Michael L ^c  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^c Temple University   (United States)

Author keywords

Coarse grained models; Computer simulations; Force field; Molecular dynamics; Parameterization

Indexed keywords

AMBIENT CONDITIONS; COARSE-GRAINED; COARSE-GRAINED MODELS; COMPUTATIONAL STUDIES; CUT-OFF; EXPERIMENTAL VALUES; FORCE FIELDS; FORCE-FIELD; FUNCTIONAL FORMS; INTERACTION POTENTIALS; INTERFACIAL SYSTEMS; LENNARD JONES; LIQUID STATE; MATHEMATICAL EQUATIONS; MELTING TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; ROOM TEMPERATURE; SIMPLE MODEL; SOFT MATTER; STANDARD TOOLS; WATER MODELS; WATER MOLECULE;

COMPRESSIBILITY; COMPUTATIONAL EFFICIENCY; DYNAMICS; MELTING POINT; METAL MELTING; MODEL CHECKING; MOLECULAR DYNAMICS; MOLECULES; SURFACE CHEMISTRY; SURFACE PROPERTIES; SURFACE TENSION; WETTING;

COMPUTER SIMULATION;

EID: 77955396210     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.503197     Document Type: Article

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