Antoine LevittEnseignant-chercheur
Antoine Levitt studies the mathematics of molecular simulation, in particular numerical methods for electronic structure calculations. He completed his thesis at Paris-Dauphine University in 2013, followed by postdoctoral research at Sorbonne University and CEA/DAM, before being recruited in 2015 to the Inria center in Paris, in the MATHERIALS team at the CERMICS laboratory of the École des Ponts. He then joined Paris-Saclay University in 2022 as a junior professor and, since 2025, has been a professor at the Laboratoire de mathématiques d'Orsay1 .
- 1CNRS/Université Paris-Saclay
TENUMEL (Theory and numerics for electronic structure)
Electronic structure calculations enable the simulation of the properties of molecules and materials at the electronic level and are now an indispensable tool in materials science and quantum chemistry. The methodology used to perform these calculations in practice suffers from limitations due to the size and complexity of the systems under consideration. The aim of the project is to combine mathematical and numerical analysis to improve the state of the art and thus enable practical advances in this type of calculation. The project will focus in particular on three aspects that lend themselves to a mathematical approach: algorithms for solving the ground state problem of inhomogeneous and correlated materials, the calculation of point defects in solids, and the dynamics of electrons subjected to an intense field.