Conservative and dissipative force field for simulation of coarse-grained alkane molecules: A bottom-up approach

Journal of Chemical Physics

Volumn 140, Issue 13, 2014, Pages

  Trément, Sébastien ^a   Schnell, Benoît ^b   Petitjean, Laurent ^b   Couty, Marc ^b   Rousseau, Bernard ^a  

^a UNIVERSITÉ PARIS SUD   (France)

^b Michelin   (France)

Author keywords

[No Author keywords available]

Indexed keywords

FRICTION; MOLECULAR DYNAMICS; MOLECULES;

ANISOTROPIC UNITED ATOM; ATOMISTIC MODELING; COARSE GRAINED MODELS; DISSIPATIVE PARTICLE DYNAMICS; DYNAMICAL PROPERTIES; MOLECULAR DYNAMICS TRAJECTORIES; OPERATIONAL PROCEDURES; VISCOSITY COEFFICIENT;

PARAFFINS;

EID: 84897991447     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4870394     Document Type: Article

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