A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations (Q6486779)
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scientific article; zbMATH DE number 6370188
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| English | A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations |
scientific article; zbMATH DE number 6370188 |
Statements
A scalable \(O(N)\) algorithm for large-scale parallel first-principles molecular dynamics simulations (English)
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A Scalable $O(N)$ Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations (English)
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17 November 2014
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linear scaling algorithms
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density functional theory
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Gram matrix inverse
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large scale molecular dynamics
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parallel approximate inverse
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0.8048298358917236
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0.7890232801437378
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0.750566840171814
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0.7434102296829224
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