Automatic parameterization of force fields for liquids by simplex optimization

Journal of Computational Chemistry

Volumn 20, Issue 10, 1999, Pages 1009-1017

  Faller, Roland ^a   Schmitz, Heiko ^a   Biermann, Oliver ^a   Müller Plathe, Florian ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

Force fields; Molecular dynamics; Molecular liquids; Parameter optimization; Simulation techniques

Indexed keywords

EID: 0000082788     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19990730)20:10<1009::AID-JCC3>3.0.CO;2-C     Document Type: Article

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