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.
This post provides a look into the structure of an input file for ABINIT, a software package used for calculating the properties of materials. We will break down a multi-dataset input file for a simple Hydrogen system to understand the purpose of various key parameters.
My Mac's System Data is showing an alarming 190GB of storage usage. This comprehensive guide explains what's consuming my storage and provides practical solutions to reclaim that valuable disk space through both manual methods and terminal commands.