Theory and Simulation of Materials

The behaviour of electrons and ions in matter, from atoms to molecules and solids, is governed by the equations of quantum mechanics. Solving these equations allows to predict and design the properties of materials, and thus to inspire novel devices and technologies. Still, the solution of these equations provides a formidable task. At FIM we use and develop cutting-edge theoretical methods to tackle these problems, both with analytical tools and computational approaches that capitalize on the modern capabilities of high-performance and high-throughput computing, as well as data analytics. These methods are applied over a wide range of frontier technologies and exotic materials.

The activities at FIM are focused on:

Rossella Brunetti, Mauro Ferrario, Anna Franchini, CarloJacoboni, Marco Gibertini, Rita Magri, Elisa Molinari, Alice Ruini