MaterialsAtlas Software and Tool

NWChem

quantum-chemistryplane-wave-dftqm-mmexcited-statessoftware-toolsmaterials-science-software

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Scalable computational chemistry suite for molecules and materials, supporting DFT, plane-wave methods, QM/MM, excited states, and high-performance electronic-structure workflows.

Citation: NWChem. Materials science software/tool. https://nwchemgit.github.io/

Acknowledgement: Curated by MaterialsAtlas Open Resources from official project pages, documentation, community usage, and common computational/experimental materials workflows.

TypeSoftware and Tool

DomainQuantum chemistry / materials

LicenseOpen source

Contributorsnwchemgit.github.io