computational-materials-science topic

Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, dil...

PhasesResearchLab

Phase-field code in MATLAB to solve the phase-field model of Fan & Chen for Grain Growth phenomena in 2D

abhinavroy1999

This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science

JaGeo

Original implementation of CSPML

Minoru938

Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim

jan-janssen