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.
Setting up a reproducible computational environment is crucial for density functional theory (DFT) calculations and materials science research. This guide walks you through creating a dedicated Conda environment equipped with essential tools for DFT analysis, visualization, and machine learning applications in computational chemistry.
ABINIT is a powerful computational chemistry software package used for first-principles calculations. Installing it on macOS can be straightforward thanks to Homebrew. This guide walks you through the installation process, including special considerations for Apple Silicon Macs.