Parallel direct SCF and gradient program for workstation clusters

Autor:	Michael Ehrig, Julia E. Rice, Reinhart Ahlrichs, Hans Horn, Diane Moldrup, Stefan Brode
Rok vydání:	1993
Předmět:	Speedup Workstation Computer program Iterative method Computer science Ab initio General Chemistry Parallel computing Molecular systems Workstation clusters law.invention Computational science Computational Mathematics Ab initio quantum chemistry methods law
Zdroj:	Journal of Computational Chemistry. 14:1142-1148
ISSN:	1096-987X 0192-8651
DOI:	10.1002/jcc.540141004
Popis:	A parallel direct SCF and gradient program for workstation clusters has been implemented on the basis of the ab initio program package TURBOMOLE. Applications on large molecular systems monitor an appreciable speedup in residence time. © John Wiley & Sons, Inc.
Databáze:	OpenAIRE
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