Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines (Q347926)
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines |
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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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