MaterialsAtlas Software and Tool

CALYPSO

cspparticle-swarmglobal-optimizationcrystal-generationsoftware-toolsmaterials-science-software

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Crystal structure prediction package based on particle-swarm optimization, widely used for predicting stable and metastable structures under composition, pressure, and other external constraints.

Citation: CALYPSO. Materials science software/tool. http://www.calypso.cn/

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

Contributorscalypso.cn