MaterialsAtlas Software and Tool

ESPEI

calphaddatabase-fittinguncertainty-quantificationthermodynamicssoftware-toolsmaterials-science-software

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Extensible Self-optimizing Phase Equilibria Infrastructure for fitting CALPHAD model parameters, Bayesian uncertainty quantification, thermodynamic database development, and pycalphad workflows.

Citation: ESPEI. Materials science software/tool. https://espei.org/

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

TypeSoftware and Tool

DomainCALPHAD database fitting

LicenseMIT

Contributorsespei.org