MaterialsAtlas Software and Tool

USPEX

cspevolutionary-algorithmcrystal-generationmaterials-designsoftware-toolsmaterials-science-software

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Evolutionary crystal structure prediction and materials design package for atomic and molecular crystals, variable-composition searches, nanoparticles, surfaces, interfaces, polymers, transition pathways, and property-optimized structures.

Citation: USPEX. Materials science software/tool. https://uspex-team.org/

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

TypeSoftware and Tool

DomainCrystal structure prediction

LicenseFree academic

Contributorsuspex-team.org