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NWChem is an ab initio and semiempirical computational chemistry software package. It was designed to run on high-performance parallel supercomputers as well as conventional workstation clusters. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources. NWChem has been developed by the Molecular Sciences Software group of the Theory, Modeling & Simulation program of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL). Most of the implementation has been funded by the EMSL Construction Project.
|This article is licensed under the GNU Free Documentation License. It uses material from the Wikipedia article "NWChem". A list of authors is available in Wikipedia.|