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    A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations
    13 years 11 months ago
    A scalable parallel algorithm for large-scale reactive force-field molecular dynamics simulations
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    A scalable parallel algorithm has been designed to perform multimillion-atom molecular dynamics (MD) simulations, in which first principlesbased reactive force fields (ReaxFF) des...
    Ken-ichi Nomura, Rajiv K. Kalia, Aiichiro Nakano, ...
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