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ChemPhysChem

Volumn 6, Issue 9, 2005, Pages 1788-1793

Car-Parrinello molecular dynamics on massively parallel computers

(2) Hutter, Jürg a Curioni, Alessandro b

a UNIVERSITY OF ZURICH (Switzerland)

b IBM RESEARCH ZURICH (Switzerland)

Author keywords

Ab initio calculations; Car Parrinello molecular dynamics; Density functional calculations; Parallel computing

Indexed keywords

BIOINFORMATICS; CALCULATIONS; COMPUTATION THEORY; DENSITY FUNCTIONAL THEORY; PARALLEL PROCESSING SYSTEMS; REACTION KINETICS; SCALABILITY; SOLID STATE REACTIONS; SUPERCOMPUTERS;

AB INITIO CALCULATIONS; AB INITIO MOLECULAR DYNAMICS; AB INITIO MOLECULAR DYNAMICS SIMULATION; CAR-PARRINELLO MOLECULAR-DYNAMICS; ENZYMATIC REACTION; MASSIVELY PARALLEL COMPUTERS; MULTI-SCALE MODELLING; PARALLELIZATION STRATEGIES;

MOLECULAR DYNAMICS;

EID: 24944573869 PISSN: 14394235 EISSN: None Source Type: Journal
DOI: 10.1002/cphc.200500059 Document Type: Article

Times cited : (113)

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