Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926): Difference between revisions
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| Property / author: Long Wang / rank | |||
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| Property / Mathematics Subject Classification ID: 65Y10 / rank | |||
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| Property / zbMATH DE Number: 6659782 / rank | |||
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molecular dynamics | |||
| Property / zbMATH Keywords: molecular dynamics / rank | |||
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electronic structure | |||
| Property / zbMATH Keywords: electronic structure / rank | |||
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first-principles | |||
| Property / zbMATH Keywords: first-principles / rank | |||
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density functional theory | |||
| Property / zbMATH Keywords: density functional theory / rank | |||
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plane wave pseudopotential | |||
| Property / zbMATH Keywords: plane wave pseudopotential / rank | |||
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GPU | |||
| Property / zbMATH Keywords: GPU / rank | |||
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Revision as of 08:44, 28 June 2023
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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