NWChem : Exploiting parallelism in molecular simulations: Parallel computing in chemical physics

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Veröffentlicht in:	Computer physics communications 2000, Vol.128 (1-2), p.377-385
Hauptverfasser:	STRAATSMA, T. P, PHILIPPOPOULOS, M, MCCAMMON, J. A
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Computational techniques Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Fundamental areas of phenomenology (including applications) General theory of classical mechanics of discrete systems Mathematical methods in physics Molecular dynamics and other numerical methods Molecular dynamics and particle methods Physics Solid dynamics (ballistics, collision, multibody system, stabilization...) Solid mechanics
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ISSN:	0010-4655 1879-2944