SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (Q6155140)
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scientific article; zbMATH DE number 7694312
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature |
scientific article; zbMATH DE number 7694312 |
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SQDFT: spectral quadrature method for large-scale parallel \(\mathcal{O}(N)\) Kohn-Sham calculations at high temperature (English)
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9 June 2023
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electronic structure
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linear scaling
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metallic systems
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high temperature
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quantum molecular dynamics
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high performance computing
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parallel computing
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