Our research group (Interface Theory Experiment: Mechanism & Modeling) use synergistical interplay between theory and experiment to decipher chemical mechanisms. Our research is dedicated to the understanding and modeling of complex catalytic systems through a multidisciplinary approach: at the interphase between advanced physicochemical characterization and multi-scale computer modeling. We are particularly interested in polymetallic mechanisms (clusters of metals in solutions, supported nanoparticles, etc.), mechanisms of transmetalation reactions, descriptor development for the optimization assisted by artificial intelligence of reactions and the calculation of spectroscopic properties for the characterization of non-isolable species.
David Trummer, Anna Nobile, Pierre-Adrien Payard, Anton Ashuiev, Yuya Kakiuchi, Daniel Klose, Gunnar Jeschke, Christophe Copéret
Domenico Gioffrè, Lukas Rochlitz, Pierre-Adrien Payard, Alexander Yakimov, Christophe Copéret
Lukas Rochlitz, Quentin Pessemesse, Jörg WA Fischer, Daniel Klose, Adam H Clark, Milivoj Plodinec, Gunnar Jeschke, Pierre-Adrien Payard,* Christophe Copéret*
Alexis D. Oswald, Ludmilla Verrieux, Pierre-Alain R. Breuil, Hélène Olivier-Bourbigou, Julien Thuilliez, Florent Vaultier, Mostafa Taoufik*, Lionel Perrin*, and Christophe Boisson*
Haosheng Liang, Jordan Rio, Lionel Perrin,* and Pierre-Adrien Payard*