Speeding up plane-wave electronic-structure calculations using graphics-processing units (Q1943101)
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scientific article; zbMATH DE number 6145366
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Speeding up plane-wave electronic-structure calculations using graphics-processing units |
scientific article; zbMATH DE number 6145366 |
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Speeding up plane-wave electronic-structure calculations using graphics-processing units (English)
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15 March 2013
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electronic structure
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density-functional theory
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plane waves
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graphics-processing unit
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Davidson algorithm
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fast Fourier transformation
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rectangular matrix multiplication
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Vienna ab initio simulation package VASP
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