FAIRChem

Machine learning interatomic potentials (MLIPs) are rapidly changing the landscape of materials simulation. This post provides a practical walkthrough of using FAIRChem, a powerful MLIP model, to perform geometry optimisation on crystal structures, building upon our previous introduction to the topic.

FAIRChem is a powerful machine learning framework developed by Meta AI for accelerating materials discovery and catalysis research. This comprehensive guide walks you through using FAIRChem, from exploring the web-based demo to performing local energy calculations on macOS.