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searching for NWChem 3 found (29 total)

alternate case: nWChem

Environmental Molecular Sciences Laboratory (1,236 words) [view diff] exact match in snippet view article find links to article

October 2010, EMSL’s premier computational chemistry software package, NWChem went open source, allowing computer scientists worldwide to contribute to

List of software for nanostructures modeling (599 words) [view diff] exact match in snippet view article find links to article

surfaces...), set up and analyze ab-initio (Quantum Espresso, VASP, Abinit, NWChem...) or classical (LAMMPS, Towhee) simulations nanoHUB allows simulating

Theresa Windus (590 words) [view diff] exact match in snippet view article find links to article

the director of the United States Department of Energy Exascale Computing NWChemEx Project, and was involved with the creation of GAMESS. She has been responsible