Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria

Equilibrium modelling of sulfur vapours (S2 - S8)

Predicting nonlinear dynamics with machine learning

Plotting the different elements of ternary phase diagrams

Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases

Phase field model for precipitate aging in ternary analogues to Ni-based superalloys

Static and animated distillation phase diagrams for chemistry education

Generate a pressure vs. liquid/vapor mole fraction of component A (in a binary mixture of A+B) phase diagram

Generate a T vs. liquid/vapor mole fraction of component A (in a binary mixture of A+B) phase diagram

This is the repository of the codes, data and plots used in the project. https://www.mdpi.com/1099-4300/23/3/288

Thermodynamics powered by Machine Learning

3D binary system phase diagram

Thermo phase diagrams with ease.

Molecular Dynamics (Lennard Jones) visualizer using Streamlit.

Pynamical is a Python package for modeling and visualizing discrete nonlinear dynamical systems, chaos, and fractals.

MPDS API client library in Python

A simple GUI for our library phaseportrait

Tsma is a project for times series model analysis, based on a 6-month study on ABMs, in the econophysix team.

Ab-initio thermodynamic approach for the stability of SCR catalysts with different VOx structures

Basic info and tutorials for the GUI of the Materials Platform for Data Science (MPDS)