Summary
Following my PhD in Theoretical Chemistry from Université Grenoble (2012) focused on developing double excitations for TDDFT, I defended my Habilitation (HDR) in 2025 at Aix-Marseille University on the modeling of photochemistry in the condensed phase. I am a permanent CNRS Research Fellow since 2015 at Aix-Marseille University, currently serving as the Head of the Light and Radicals strategic research axis at the Institut de Chimie Radicalaire. I currently lead the Theoretical Chemistry division of the national French XFEL network as well as the South-East hub of the French Theoretical Chemistry network (Thémosia). I have authored over 70 peer-reviewed publications, blending electronic structure developments, multi-scale modeling, and spectroscopy with applications spanning from gas-phase molecules to complex photoactive proteins.
Current Position
Investigating the photochemistry of molecular systems in complex environments. Developing theoretical architectures for non-adiabatic dynamics and multi-scale QM/MM platforms.
On-Going Grants
Title: Development of new methods for multi-scale modeling
Title: Development of NHC organocatalysts for extreme photoreduction
Title: A Combined Theoretical and Experimental Study of Ultrafast Bio-mimetic Photo-switches – Towards Rational Design Principles
Title: MAssively Parallelized Polarizable Linear-scaling QM/MM for Enzymatic catalysis
Title: Ultrafast structural dynamics of Archaerhodopsin-3 in its fluorescent state
Education
Thesis: Energy dissipation in photoactive molecular systems: from gas to condensed phase
Thesis: Improved correlation kernels for linear-response time-dependent density-functional theory