News

EAIFR Online Seminar: Giulia Galli

Title: Quantum simulations of materials for sustainable energy generation and use

02 DEC 2021

Machine Learning for Electronic Structure and Molecular Dynamics

In the study of known materials and the prediction of the properties of new ones, electronic structure (ES) methods as well as atomistic simulations such as molecular dynamics (MD) have proved to be formidable tools and have facilitated the development of new materials. Machine learning (ML) and Artificial Intelligence (AI) offer systematic approaches to address a number of problems to broaden the scope of traditional ES and MD simulations.

01 Oct 2021