The quest for the best nonpolarizable water model from the adaptive force matching method

Journal of Computational Chemistry

Volumn 32, Issue 3, 2011, Pages 453-462

  Akin Ojo, Omololu ^a,b   Wang, Feng ^a  

^a Boston University   (United States)

^b ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

Author keywords

adaptive force matching; force field development; force matching; water potential

Indexed keywords

AB INITIO; AFM; AFM METHODS; ATOMISTIC SCALE; BIOLOGICAL SIMULATION; COMPUTATIONAL COSTS; CONDENSED PHASIS; DYNAMICAL PROPERTIES; FLEXIBLE MODEL; FORCE FIELDS; FORCE MATCHING; FORCE MATCHING METHODS; HIGH QUALITY; INTERMOLECULAR FORCES; OUT-OF-PLANE; PARAMETERIZED; PATH-INTEGRAL SIMULATION; POLARIZABLE MODEL; TEMPERATURE RANGE; TIME STEP; WATER MODELS; WATER POTENTIAL;

CHEMICAL BONDS;

COMPUTER SIMULATION;

EID: 78650479897     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21634     Document Type: Article

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