MaterialsAtlas Software and Tool

GASP

cspgenetic-algorithmglobal-optimizationdefectssoftware-toolsmaterials-science-software

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Genetic Algorithm for Structure Prediction package for predicting stable and metastable structures, compositions, clusters, defects, and materials configurations with interfaces to multiple energy calculators.

Citation: GASP. Materials science software/tool. https://github.com/henniggroup/GASP-python

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

LicenseOpen source/free

Contributorshenniggroup/GASP-python