GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions (Q6040775): Difference between revisions

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Latest revision as of 04:08, 1 August 2024

scientific article; zbMATH DE number 7687579
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English
GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions
scientific article; zbMATH DE number 7687579

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    GPU acceleration of all-electron electronic structure theory using localized numeric atom-centered basis functions (English)
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    22 May 2023
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    GPU acceleration
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    high performance computing
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    electronic structure
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    density functional theory
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    localized basis sets
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    domain decomposition
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