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Q48042012-5AA15FBC-28A1-43C1-8A71-F4FF99AF04F9
Q48042012-5AA15FBC-28A1-43C1-8A71-F4FF99AF04F9
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http://www.wikidata.org/entity/statement/Q48042012-5AA15FBC-28A1-43C1-8A71-F4FF99AF04F9
Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.
P2860
Q48042012-5AA15FBC-28A1-43C1-8A71-F4FF99AF04F9
BestRank
Statement
http://www.wikidata.org/entity/statement/Q48042012-5AA15FBC-28A1-43C1-8A71-F4FF99AF04F9
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9c04fccaf1db0fea0066ad8fb487111a80b59530
P2860
How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculations? The case of the divide-and-conquer method.