Materials for the hands-on sessions of the Joint ICTP–MARVEL College: Materials Simulations in the Age of AI, held at ICTP, Trieste, 1–12 June 2026.
Organized by Sara Bonella, Michele Ceriotti, Nicola Marzari, and Sandro Scandolo.
Organizing assistants: Nicola Colonna, Edward Linscott, and Iurii Timrov.
before/ contains instructions for you to follow before you arrive in Trieste (installing Quantum Mobile and performing some basic tests)
Each day-XX/ directory contains the materials for the corresponding day's hands-on session.
- Week 1 — electronic-structure theory and spectroscopy: DFT and beyond, lattice dynamics, many-body perturbation theory, topology and Wannier functions, advanced functionals.
- Week 2 — statistical mechanics and machine learning: molecular dynamics, enhanced sampling, ML for materials and interatomic potentials.
