Super instruction architecture of petascale electronic structure software: The story

Molecular Physics

Volumn 108, Issue 21-23, 2010, Pages 3323-3330

  Lotrich, V F ^a   Ponton, J M ^a   Perera, A S ^a   Deumens, E ^a   Bartlett, R J ^a   Sanders, B A ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

coupled cluster; electronic structure; parallel programming

Indexed keywords

COMPUTATIONAL CHEMISTS; COUPLED CLUSTERS; ELECTRONIC ENERGIES; ELECTRONIC WAVE FUNCTIONS; FLOATING POINT OPERATIONS; LARGE DATASETS; MASSIVELY PARALLEL COMPUTERS; MATERIALS ENGINEERING; PETASCALE; PROGRAMMING PARADIGMS;

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NUMERICAL METHODS; QUANTUM COMPUTERS; QUANTUM THEORY;

PARALLEL PROGRAMMING;

EID: 78649575924     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.512566     Document Type: Conference Paper

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