Nicola Marzari holds the chair of Theory and Simulation of Materials at the EPFL – where he is also Director of the National Centre on Computational Design and Discovery of Novel Materials of the SNSF – and heads the Laboratory for Materials Simulations at PSI. As of 2025, he is also the Cavendish Professor of Physics at the University of Cambridge. Previous tenured appointments include the Toyota Chair for Materials Processing at MIT and the first Statutory Chair of Materials Modelling at the University of Oxford.