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

Marat Valiev(John Wiley & Sons (United States)), Eric J. Bylaska(Pacific Northwest National Laboratory), Niranjan Govind(Pacific Northwest National Laboratory), Karol Kowalski(John Wiley & Sons (United States)), Tjerk P. Straatsma(Pacific Northwest National Laboratory), Hubertus J. J. van Dam(Pacific Northwest National Laboratory), Dianxue Wang(Environmental Molecular Sciences Laboratory), Jarek Nieplocha(John Wiley & Sons (United States)), Edoardo Aprà(Oak Ridge National Laboratory), Theresa L. Windus(Iowa State University), Wibe A. de Jong(Environmental Molecular Sciences Laboratory)
Computer Physics Communications
May 17, 2010
Cited by 5,770

Abstract


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