Massively parallel molecular-dynamics simulation of ice crystallisation and melting: The roles of system size, ensemble, and electrostatics

Journal of Chemical Physics

Volumn 141, Issue 23, 2014, Pages

  English, Niall J ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; ELECTROSTATICS; MELTING; MOLECULAR DYNAMICS; NANOCLUSTERS; NANOCRYSTALLITES; NANOPARTICLES;

DISSOCIATION KINETICS; ICE CRYSTALLISATION; LIQUID WATER; MASSIVELY PARALLELS; PERIODIC BOUNDARY CONDITIONS; POINT CHARGE; SINGLE SITES; WATER MODELS;

ICE;

EID: 84919594862     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4903786     Document Type: Article

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