Computational Methods

Getting Started with FAIRChem

Published: 2025-10-14

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.

Crystal Structure Modeling with VESTA

Published: 2025-10-04

Crystal structure modeling is a fundamental skill in materials science and computational chemistry. VESTA (Visualization for Electronic and STructural Analysis) is a powerful, user-friendly software tool that enables researchers to create, visualize, and manipulate crystal structures with ease. This guide demonstrates how to build a face-centered cubic (FCC) aluminum structure from scratch using VESTA.