MaterialsAtlas Software and Tool

atomate2

workflowhigh-throughputvaspphononssoftware-toolsmaterials-science-software

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Materials Project workflow library for VASP, force-field, phonon, defect, equation-of-state, and high-throughput computational materials workflows.

Citation: atomate2. Materials science software/tool. https://github.com/materialsproject/atomate2

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

TypeSoftware and Tool

DomainWorkflow automation

LicenseBSD-3-Clause

Contributorsmaterialsproject/atomate2