High performance computational chemistry: an overview of NWChem a distributed parallel application

Computer Physics Communications

Volumn 128, Issue 1, 2000, Pages 260-283

  Kendall, Ricky A ^a   Aprà, Edoardo ^b   Bernholdt, David E ^c   Bylaska, Eric J ^b   Dupuis, Michel ^b   Fann, George I ^b   Harrison, Robert J ^b   Ju, Jialin ^b   Nichols, Jeffrey A ^b   Nieplocha, Jarek ^b   Straatsma, T P ^b   Windus, Theresa L ^b   Wong, Adrian T ^d  

^a IOWA STATE UNIVERSITY   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^c SYRACUSE UNIVERSITY   (United States)

^d LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COMPLEXITY; COMPUTER AIDED SOFTWARE ENGINEERING; COMPUTER ARCHITECTURE; COMPUTER SIMULATION; COMPUTER SOFTWARE PORTABILITY; DATABASE SYSTEMS; ELECTRONIC STRUCTURE; INPUT OUTPUT PROGRAMS; INTERFACES (COMPUTER); MOLECULAR DYNAMICS; PARALLEL ALGORITHMS; QUANTUM THEORY;

DISTRIBUTED TOOLS; PARALLEL COMPUTATIONAL CHEMISTRY; SOFTWARE PACKAGE NWCHEM;

PARALLEL PROCESSING SYSTEMS;

EID: 0034625269     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0010-4655(00)00065-5     Document Type: Article

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