An efficient parallelization scheme for molecular dynamics simulations with many-body, flexible, polarizable empirical potentials: application to water

Author： Fanourgakis George   Tipparaju Vinod   Nieplocha Jarek   Xantheas Sotiris  

Publisher： Springer Publishing Company

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.117, Iss.1, 2007-01, pp. : 73-84

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