This 3-day school will teach ~25 participants how to carry out chemical-bonding analysis and the computer program LOBSTER will be introduced, which has been designed to suit the needs of high-performance materials simulations by being able to process output from VASP, ABINIT and Quantum ESPRESSO.
Training School Materials Motivation and overview Artificial intelligence (AI) and machine learning (ML) have suddenly emerged as game-changing tools across diverse scientific disciplines. This includes astronomy -including observational astronomy, laboratory astrophysics and astrobiology- and chemistry -where machine learning interatomic potentials are already solidly established tools for atomistic modeling of materials and molecules. At the intersection …
COST NanoSpace – AI in Astrochemistry Training School 2025 Read More »
Motivation and overview The field of atomistic ML has exploded in recent years. These models allow us to tackle materials modeling problems that were completely out of reach just a few years ago. Although most of the developments in this field have gravitated around ML interatomic potentials (MLPs), other properties which are a function of …