Nicolas Ferré

Nicolas Ferré is a Professor at Aix-Marseille University, specializing in Theoretical Chemistry. His research focuses on quantum mechanics (QM), molecular mechanics (MM), and hybrid QM/MM methods for systems with radical, photochemical, or magnetic activity. He teaches Quantum Mechanics and Quantum Chemistry at the L3 (Bachelor’s) level.

His research spans the development of electrostatic embedding QM/MM techniques, including applications to photoreceptor proteins like rhodopsins and cryptochromes. Recent work explores pH-dependent biomolecular photochemistry, solvent effects on X-ray absorption spectra, and analytic gradients for QM/MM models with periodic boundary conditions.

His publications emphasize computational insights into magnetic exchange couplings, bioluminescence mechanisms, and ultrafast photochemical processes. Key collaborations include contributions to the OpenMolcas computational chemistry platform.