Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926): Difference between revisions
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| Property / DOI: 10.1016/j.jcp.2013.05.005 / rank | |||
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| Property / full work available at URL: https://doi.org/10.1016/j.jcp.2013.05.005 / rank | |||
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| Property / OpenAlex ID: W2040182267 / rank | |||
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| Property / cites work: Speeding up plane-wave electronic-structure calculations using graphics-processing units / rank | |||
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| Property / cites work: Accelerated block preconditioned gradient method for large scale wave functions calculations in density functional theory / rank | |||
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| Property / cites work: Appendix: The Magma language / rank | |||
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| Property / DOI: 10.1016/J.JCP.2013.05.005 / rank | |||
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Latest revision as of 15:00, 9 December 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines |
scientific article |
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Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (English)
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5 December 2016
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molecular dynamics
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electronic structure
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first-principles
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density functional theory
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plane wave pseudopotential
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GPU
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