O(N) tight-binding molecular dynamics on massively parallel computers: An orbital decomposition approach

Computer Physics Communications

Volumn 94, Issue 2-3, 1996, Pages 89-102

  Canning, A ^a,b   Galli, G ^a   Mauri, F ^a   De Vita, A ^a   Car, R ^a  

^a INSTITUT ROMAND DE RECHERCHE NUMÉRIQUE EN PHYSIQUE DES MATÉRIAUX IRRMA   (Switzerland)

^b EPFL   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; COMPUTER PROGRAMMING; COMPUTER SIMULATION; DATA COMMUNICATION SYSTEMS; MOLECULAR DYNAMICS;

CRAY T3D PARALLEL COMPUTER; ORBITAL DECOMPOSITION APPROACH; TIGHT BINDING MOLECULAR DYNAMICS;

PARALLEL PROCESSING SYSTEMS;

EID: 0030130017     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/0010-4655(96)00009-4     Document Type: Article

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