Speeding up plane-wave electronic-structure calculations using graphics-processing units
type: Item
instance of: scholarly article
title: Speeding up plane-wave electronic-structure calculations using graphics-processing units
zbMATH Open document ID: 1259.82005
author: Stefan Maintz
author: Bernhard Eck
author: Richard Dronskowski
published in: Computer Physics Communications
publication date: 2013-03-15T00:00:00Z
Mathematics Subject Classification ID: 82-04
Mathematics Subject Classification ID: 65Y10
Mathematics Subject Classification ID: 82D20
Mathematics Subject Classification ID: 82-08
Mathematics Subject Classification ID: 65T50
Mathematics Subject Classification ID: 65Y20
zbMATH DE Number: 6145366
zbMATH Keywords: electronic structure
zbMATH Keywords: density-functional theory
zbMATH Keywords: plane waves
zbMATH Keywords: graphics-processing unit
zbMATH Keywords: Davidson algorithm
zbMATH Keywords: fast Fourier transformation
zbMATH Keywords: rectangular matrix multiplication
zbMATH Keywords: Vienna ab initio simulation package VASP
describes a project that uses: CUDA
describes a project that uses: cuFFT
describes a project that uses: VASP
MaRDI profile type: Publication
full work available at URL: j.cpc.2011.03.010
OpenAlex ID: W1990902319
cites work: General purpose molecular dynamics simulations fully implemented on graphics processing units
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cites work: A new method for diagonalising large matrices
cites work: The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
DOI: 10.1016/J.CPC.2011.03.010
description: scientific article; zbMATH DE number 6145366