Career path
2024 CNRS researcher director
2014 Habilitation
2010 CNRS researcher
Honour
- Distinguished member SCF, 2025 promotion.
Teachings
- Lectures and practicals in computational chemistry and EPR simulation (since 2008)
Research themes
Research focused on the experimental and theoretical characterization of molecular catalysts for the activation of small molecules. Use of quantum chemical tools to: (i) better understand reaction mechanisms (ii) predict the catalytic performance of systems and (iii) develop new synthetic targets.
References: Chem. Sus. Chem., 2019 - Chem. Comm., 2021 - Chem. Eur. J., 2022
1) Bio-inspired hydrogen production: molecular electrocatalysis, photocatalysis and supported catalysis
By combining non-innocent ligands and Earth-abundant transition metal ions, familes of bio-inspired complexes that exhibit significant activity for the reduction of protons to hydrogen were developed. A first research line aims to predict the catalytic performance of our bio-inspired complexes to design more efficient molecular catalysts. A second axis aims to combine catalytic centers with a solid matrix, in order to design stable and sustainable electrodes. A final focus is the development of noble metal-free systems for photocatalytic hydrogen production.
Funding : ANR, ANRT, DGA, Région Sud, IM2B, IEA, AMUTech
Participants: Renaud Hardré, Bruno Faure, Marius Réglier
Collaborations: Company Rener, Athanassios Coutsolelos (Univ. Crete), Kalliopi Ladomenou (Univ. International Hellenic)
Publications: Chem. Cat. Chem., 2017 - Chem. Eur. J., 2018 - Dalton Trans., 2020 - RSC Adv., 2021 - EurJIC, 2021 - Chem. Phys. Chem., 2022 - EurJIC, 2023 - ChemCatChem, 2024 - Dalton Trans. 2025 - Coord. Chem. Rev. 2026
2) Oxygen activation: Structure-function studies of copper monooxygenases
Lytic Polysaccharide Monooxygenases (LPMOs) are copper metalloenzymes that catalyze the oxidative cleavage of recalcitrant polysaccharides. LPMOs hydroxylate a C-H bond on cellulose using a copper active site. Many questions remain as to the mode of action of the enzyme and the role of the particular coordination motif "histidine-brace". A multidisciplinary approach combining biology, spectroscopy and quantum chemistry is developed to interpret the structure and properties of these enzymes, establish structure-function relationships and better understand the reactivity of copper centers.
Fundings: ANR, PHC Procope, PHC Procope +, PEPR B-BEST
Participants: Jalila Simaan, Bruno Faure, Marius Réglier
Collaborations: Sylvain Bertaina (IM2NP, Aix Marseille Univ.), Giuseppe Sicoli (LASIRE, Lille Univ.), Dimitrios Pantazis (MPI Mülheim, Germany)
Publications: Chem. Phys. Chem., 2020 - Chem. Cat. Chem., 2021 - Magnetochemistry, 2022 - Inorg. Chem., 2022 - Inorg. Chem., 2024 - Actu. Chim., 2024 - Chem. Cat. Chem., 2025 - Inorg. Chem., 2026
Collaborations and groups
Collaborations
- France : Ally Aukauloo (ICMMO, Orsay), Sylvain Bertaina (IM2NP, Marseille), Sébastien Blanchard (IPCM, Paris), Giuseppe Sicoli (LASIRE, Lille), Stéphane Torelli (LCBM, Grenoble)
- Germany : Maria Drosou (Univ. Darmstadt), Dimitrios Pantazis (MPI Kofo Mülheim)
- Grece : Athanassios Coutsolelos (Univ. Crete), Kalliopi Ladomenou (Univ. International Hellenic)
- Mexico : Ivan Castillo (UNAM)
Supervisions
- Iris Wehrung, PhD student MRT 2023-2026, topic copper enzymes and models, co-supervisor: J. Simaan
- Miroslava Arronte Morales, PhD Mexico 2025-2026, topic copper enzymes and models, supervisor: I. Castillo
- Nicolas Husson, research engineer RENER 2025-, topic hydrogen
- Jana Mehrez, postdoc RENER 2026-, topic hydrogen
- Ximena Vargas, PhD student ANR 2026-2029, topic copper enzymes and models, co-supervisor: S. Bertaina
Administrative responsabilities
- Deputy director of the Infrastructure Themosia (Themosia, since 2024)
- Operational mamanger of an EPR plateform at the Infranalytics IR (Infranalytics, since 2023)
- Tresurer of the French EPR society (ARPE, since 2021)
Scientific outreach efforts
- Festival Explore AMU, Street encounters, Marseille 2024 and 2025
- Podcast CNRS Qu'est-ce que tu cherches ?: Green light for hydrogen 2024
- Written press, newspaper La marseillaise: La chimie quantique permet d’accélérer la démarche des chimistes 2019
- Journal Actualité chimique: Mécanismes du vivant et catalyse 2024 ; Un duo gagant pour la catalyse redox 2019
- En direct des laboratoires from CNRS Chemistry: : Vers l'optimisation de matériaux quantiques à base de chaînes de spin 2026 ; Une cage moléculaire inspirée du vivant pour capturer et transformer des molécules avec une précision inédite 2026 ; Un catalyseur photoredox qui accumule les charges sous lumière visible 2023