Software
Open-source tools for computational thermodynamics and materials science supported by the Materials Genome Foundation.
DFTTK
Workflows for computations of a range of properties based on density functional theory.
SIPFENN
Structure-informed prediction of formation energy using neural networks.
ASCENDS
Advanced data science toolkit for non-data scientists.
PyCalphad
Python library for computational thermodynamics using the CALPHAD method.
ESPEI
Thermodynamic database development and uncertainty quantification within the CALPHAD method.
PDUQ
Phase diagram uncertainty quantification for CALPHAD models.
Kawin
Multicomponent precipitation and diffusion simulations coupled to CALPHAD.