A Scalable $O(N)$ Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations (Q2930032)
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| Language | Label | Description | Also known as |
|---|---|---|---|
| English | A Scalable $O(N)$ Algorithm for Large-Scale Parallel First-Principles Molecular Dynamics Simulations |
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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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