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Journal of Computational Chemistry

Volumn 35, Issue 16, 2014, Pages 1199-1207

A multiple time step scheme for multiresolved models of Macromolecules

(3) Di Pasquale, Nicodemo a Gowers, Richard J b Carbone, Paola b

a POLITECNICO DI TORINO (Italy)

b UNIVERSITY OF MANCHESTER (United Kingdom)

Author keywords

hybrid molecular models; molecular dynamics; multiple time step; multiscale modeling; polymers

Indexed keywords

APPROXIMATION ALGORITHMS; MOLECULAR DYNAMICS; POLYMER MELTS; POLYMERS;

ATACTIC POLYSTYRENES; HYBRID PARTICLES; INTEGRATION SCHEME; MOLECULAR DYNAMICS SIMULATIONS; MULTI-SCALE MODELING; MULTIPLE TIME STEP; NUMBER OF INTEGRATIONS; TAYLOR SERIES APPROXIMATION;

ATOMS;

EID: 84900474861 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23594 Document Type: Article

Times cited : (16)

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