NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations-Reference-Cited by-同舟云学术

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NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

Published:2010-09 Issue:9 Volume:181 Page:1477-1489
ISSN:0010-4655
Container-title:Computer Physics Communications
language:en
Short-container-title:Computer Physics Communications

Author:

Valiev M.,Bylaska E.J.,Govind N.,Kowalski K.,Straatsma T.P.,Van Dam H.J.J.,Wang D.,Nieplocha J.,Apra E.,Windus T.L.,de Jong W.A.

Publisher

Elsevier BV

Subject

General Physics and Astronomy,Hardware and Architecture

Reference136 articles.

1. Advances, Applications and Performance of the Global Arrays Shared Memory Programming Toolkit

2. Toward high-performance computational chemistry: II. A scalable self-consistent field program

3. L.S. Blackford, J. Choi, A. Cleary, E. D'Azevedo, J. Demmel, I. Dhillon, J. Dongarra, S. Hammarling, G. Henry, A. Petitet, K. Stanley, D. Walker, R. Whaley, ScaLAPACK Users' Guide, Society for Industrial and Applied Mathematics, 1997

4. Self-Consistent Equations Including Exchange and Correlation Effects

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