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Q48042012-2F75F57D-C531-4E7A-B5FF-2EA6AB9304E4
Q48042012-2F75F57D-C531-4E7A-B5FF-2EA6AB9304E4
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http://www.wikidata.org/entity/statement/Q48042012-2F75F57D-C531-4E7A-B5FF-2EA6AB9304E4
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.
P2860
Q48042012-2F75F57D-C531-4E7A-B5FF-2EA6AB9304E4
BestRank
Statement
http://www.wikidata.org/entity/statement/Q48042012-2F75F57D-C531-4E7A-B5FF-2EA6AB9304E4
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9c04fccaf1db0fea0066ad8fb487111a80b59530
P2860
Reconsidering an analytical gradient expression within a divide-and-conquer self-consistent field approach: exact formula and its approximate treatment.