DOE OSTI · code-183554
NWChem
Abstract
NWChem is a computational chemistry software package which includes quantum chemical and molecular dynamics functionality. It aims to be scalable both in its ability to treat large problems efficiently, and in its usage of available parallel computing resources.
Keep this discovery
Explore connections, maps & timelines
Apra, Edoardo [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)] (0000000159550734), Mejia-Rodriguez, Daniel [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (0000000203502941), Govind, Niranjan [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (000000033625366X), Bylaska, EricJ [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Kowalski, Karol [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)], Harrison, RobertJ [Stony Brook Univ., NY (United States)], Straatsma, TjerkP [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (000000015150643X), van Dam, Hubertus [Brookhaven National Laboratory (BNL), Upton, NY (United States)] (0000000208763294), de Jong, Wibe [Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)], Windus, TheresaL [Iowa State Univ., Ames, IA (United States)], Valiev, Marat [US Department of Energy (USDOE), Washington, DC (United States). Office of Science, Basic Energy Sciences (BES)] (0000000161271988). 2025-10-24. NWChem. https://doi.org/10.11578/dc.20260619.3
Cite the original work for its findings. Save a collection to share your selection of sources.