MaterialsAtlas Software and Tool

CHGNet

mlipenergyforcesstresscomputational-materials-softwaresoftware-tools

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Charge-informed graph neural network potential for energy, force, stress, relaxation, and molecular dynamics workflows.

Citation: CHGNet. Computational materials software/tool. https://github.com/CederGroupHub/chgnet

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

TypeSoftware and Tool

DomainUniversal ML potential

LicenseBSD-3-Clause

ContributorsCederGroupHub/chgnet