Speeding up plane-wave electronic-structure calculations using graphics-processing units (Q1943101)

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Speeding up plane-wave electronic-structure calculations using graphics-processing units
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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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