URL: https://www.emsl.pnl.gov/emslweb/
Proper Citation: NWChem (RRID:SCR_014900)
Description: Software toolkit of computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. NWChem software is designed to work with biomolecules, nanostructures, and solid-state, from quantum to classical, and all combinations, ground and excited-states, Gaussian basis functions or plane-waves, scaling from one to thousands of processors, and the properties and relativistic effects of computational chemistry problems.
Resource Type: source code, software resource
Keywords: computational chemistry, parallel computing, biomolecules, Gaussian basis functions
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