CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.

Open Calphad, thermodynamic calculation code

Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59

Computational library for chemical thermodynamics and phase equilibrium calculation. Multiphysics and standalone estimations of chemical state and constitutive and transport properties.

Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Science

A python package to simulate precipitation and diffusion behavior using Calphad

A Scheil-Gulliver simulation tool using pycalphad.

Datasets to be used by ESPEI. CC-BY-4.0

Calmly developed CALPHAD package

Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations

Additive Manufacturing Mapping of Compositional Spaces with Thermodynamic, Analytical, and Artificial Intelligence Models

OpenCalphad-Python is a Python-based library that allows users to generate their own applications using the OpenCalphad API

This repository contains codes developed as a part of computational materials thermodynamics (MM6010)