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:

• Methods for computation- and data-driven materials discovery
  Classical and Quantum Multiscale Simulations
  Theory of ground and excited states: Computational spectroscopy
  High-performance and high-throughput computing
• Materials for frontier technologies
  Battery and energy materials
  Chalcogenides for memory devices and neuromorphic applications
  Nanostructures for optoelectronic applications
  Solid-state devices for quantum technologies
• Low-dimensional materials and emergent phenomena
  Topological and excitonic insulators
  Two-dimensional materials and van der Waals heterostructures
  Nanotubes and nanoribbons
  Surface and interface phenomena

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

[Ultimo aggiornamento: 05/02/2021 08:21:35]