Prof. Cesare Franchini

• Books on AI/ML Materials Informatics

Argomenti del programma: Philosophy of the course The course introduces modern artificial intelligence and data-driven approaches for materials science through the lens of the scientific method. Rather than presenting machine-learning algorithms as isolated techniques, the course is organised around the key scientific questions encountered during a materials-discovery workflow: how materials are transformed into data, how predictive models…

Argomenti del programma: 0. Introduction Brief introduction to numerical simulations and basic principles of quantum mechanics necessary for the solution of the Schrödinger equation for a system of many electrons. 1. Intro: Numerical solution of the Schrödinger (1 particle) 1.1 Direct integration: Shooting method 1.2 Variational approach 1.3 Machine Learning (hints) 2.