Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926): Difference between revisions
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| Property / author | |||
| Property / author: Long Wang / rank | |||
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| Property / author: Long Wang / rank | |||
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| Property / Mathematics Subject Classification ID | |||
| Property / Mathematics Subject Classification ID: 65Y10 / rank | |||
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| Property / zbMATH DE Number | |||
| Property / zbMATH DE Number: 6659782 / rank | |||
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| Property / zbMATH Keywords | |||
molecular dynamics | |||
| Property / zbMATH Keywords: molecular dynamics / rank | |||
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| Property / zbMATH Keywords | |||
electronic structure | |||
| Property / zbMATH Keywords: electronic structure / rank | |||
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| Property / zbMATH Keywords | |||
first-principles | |||
| Property / zbMATH Keywords: first-principles / rank | |||
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| Property / zbMATH Keywords | |||
density functional theory | |||
| Property / zbMATH Keywords: density functional theory / rank | |||
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| Property / zbMATH Keywords | |||
plane wave pseudopotential | |||
| Property / zbMATH Keywords: plane wave pseudopotential / rank | |||
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| Property / zbMATH Keywords | |||
GPU | |||
| Property / zbMATH Keywords: GPU / rank | |||
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| Property / describes a project that uses | |||
| Property / describes a project that uses: Qbox / rank | |||
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| Property / MaRDI profile type | |||
| Property / MaRDI profile type: MaRDI publication profile / rank | |||
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| Property / full work available at URL | |||
| Property / full work available at URL: https://doi.org/10.1016/j.jcp.2013.05.005 / rank | |||
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| Property / OpenAlex ID | |||
| Property / OpenAlex ID: W2040182267 / rank | |||
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| Property / cites work | |||
| Property / cites work: Speeding up plane-wave electronic-structure calculations using graphics-processing units / rank | |||
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| Property / cites work | |||
| 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 | |||
| Property / cites work: Appendix: The Magma language / rank | |||
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| links / mardi / name | links / mardi / name | ||
Latest revision as of 00:52, 13 July 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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