High-performance computing chemistry: NW Chem

Future Generation Computer Systems

Volumn 12, Issue 4, 1996, Pages 273-289

  Guest, M F ^a,b,c   Apra, E ^a   Bernholdt, D E ^a   Fruchtl H A ^a   Harrison, R J ^a   Kendall, R A ^a   Kutteh, R A ^a   Long, X ^a   Nicholas, J B ^a   Nichols, J A ^a   Taylor, H L ^a   Wong, A T ^a   Fann, G I ^a   Littlefield, R J ^a   Nieplocha, J ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b DARESBURY LABORATORY   (United Kingdom)

^c UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

Computational chemistry; Density Functional Theory; High performance computing; Massively Parallel Processors

Indexed keywords

COMPUTER SYSTEMS PROGRAMMING; DATA STRUCTURES; NATURAL SCIENCES COMPUTING;

COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; HIGH PERFORMANCE COMPUTING; MASSIVELY PARALLEL PROCESSORS; SOFTWARE PACKAGE NW CHEM;

PARALLEL PROCESSING SYSTEMS;

EID: 0030393127     PISSN: 0167739X     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0167-739x(97)80002-e     Document Type: Article

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