Deriving effective mesoscale potentials from atomistic simulations

Journal of Computational Chemistry

Volumn 24, Issue 13, 2003, Pages 1624-1636

  Reith, Dirk ^a   Pütz, Mathias ^a   Müller Plathe, Florian ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

Automatic parameterization; Mesoscopic potential; Polymers

Indexed keywords

ALGORITHMS; COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); GRAIN SIZE AND SHAPE; ITERATIVE METHODS; MATHEMATICAL MODELS; OPTIMIZATION; REDUCTION;

ATOMISTIC SIMULATIONS; AUTOMATIC PARAMETERIZATION; MESOSCALE POTENTIALS;

POLYISOPRENES;

EID: 0042783950     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10307     Document Type: Article

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