Federica Agostini

Federica Agostini is an Assistant Professor of Theoretical Chemistry at the Institut de Chimie Physique of the University Paris-Saclay, France, since 2016. Her research focuses on quantum dynamics, nonadiabatic processes, and electronic structure calculations, particularly in photochemical reactions and molecular dynamics. She employs advanced computational methods such as exact factorization, coupled-trajectory approaches, and density functional theory to study systems like retinal chromophores and conical intersections. Her work bridges quantum and classical mechanics, addressing challenges in non-Born-Oppenheimer regimes and environmental effects on molecular processes. Key areas include decoherence mechanisms, electronic-vibrational coupling, and the development of benchmark protocols for molecular dynamics simulations. Her projects are supported by ANR and CNRS funding, emphasizing cutting-edge computational tools for understanding ultrafast phenomena in chemistry and physics.