Nicola Marzari holds a Laurea degree in Physics from the University of Trieste (1992), and a PhD in Physics from the University of Cambridge (1996). After postdoctoral appointments at Rutgers University, the Naval Research Laboratory, and Princeton University, he joined in 2001 the faculty at MIT, where he was promoted to associate professor in 2005 and to the Toyota Chair of Materials Processing in 2009. In 2010 he moved to the University of Oxford, as Statutory Chair of Materials Modelling and director of the Materials Modelling Laboratory. He is at EPFL since 2011, as chair of Theory and Simulation of Materials and, from 2014, as director of the National Centre for Competence in Research MARVEL, on Computational Design and Discovery of Novel Materials.
Professor Marzari's research is dedicated to the development and application of computational modeling to outstanding problems in materials science, condensed matter physics, and chemistry, using quantum-mechanical descriptions of interacting electrons and nuclei that are verified and validated against experimental results and higher-order theories, and complemented by materials' informatics approaches.
The laboratory's goals are to understand, characterize or predict materials’ properties directly from simulations; to screen or design novel materials and devices with high-throughput calculations, machine learning and data mining; and to connect microscopic and atomistic structure to macroscopic performance of materials and devices.