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

Computer Physics Communications

Volumn 182, Issue 7, 2011, Pages 1421-1427

  Maintz, Stefan ^a   Eck, Bernhard ^a   Dronskowski, Richard ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

Author keywords

Davidson algorithm; Density functional theory; Electronic structure; Fast Fourier transformation; Graphics processing unit; Plane waves; Rectangular matrix multiplication

Indexed keywords

DAVIDSON ALGORITHM; FAST FOURIER TRANSFORMATION; GRAPHICS-PROCESSING UNIT; PLANE WAVES; RECTANGULAR MATRIX;

ALGORITHMS; ELASTIC WAVES; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; FOURIER ANALYSIS; IMAGE CODING; LINEAR TRANSFORMATIONS; PROGRAM PROCESSORS; TIME VARYING SYSTEMS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 79955568040     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.03.010     Document Type: Article

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