From a week to less than a day: speedup and scaling of coordinate-scaled exact exchange calculations in plane waves (Q2698800)
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scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | From a week to less than a day: speedup and scaling of coordinate-scaled exact exchange calculations in plane waves |
scientific article |
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From a week to less than a day: speedup and scaling of coordinate-scaled exact exchange calculations in plane waves (English)
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25 April 2023
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plane wave basis
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first principles molecular dynamics
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exact exchange
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hybrid functionals
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coordinate-scaling
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parallelisation
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