Implements thermodynamic models for pure elements from 0 K in PyCalphad and ESPEI, remodeling 41 elements with MCMC uncertainty quantification to support improved CALPHAD descriptions.
Ocean of Data: Integrating First-Principles Calculations and CALPHAD Modeling with Machine Learning
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Thermodynamic Modeling of Pure Elements from 0 K with Uncertainty Quantification using PyCalphad and ESPEI
Implements thermodynamic models for pure elements from 0 K in PyCalphad and ESPEI, remodeling 41 elements with MCMC uncertainty quantification to support improved CALPHAD descriptions.