I am looking for a motivated master/PhD student (starting in February 2025 /spetember 2025) to investigate the glucose/fructose isomerization catalyzed by a base. This project is in the context of the ANR project Bisoglu in collaboration with C. Pinel and A. Mesbah from IRCE Lyon and I. Delidovich fom TU Wien, Austria.
More information here
Welcome!
I am a CNRS researcher, working in Computational Chemistry. I love working at the interface between experimentalists and method developpers to investigate chemical transformations.
Improving the current understanding of reaction mechanisms is my main motivation. My interests are spanning a wide range of chemical systems, with a preference for complex reactions occurring at a solid/liquid interface and Green Chemistry: biomass valorisation, preparation and degradation of heterogeneous catalysts, non-conventional activation in catalysis, etc.
To do so, I rely mainly on DFT and on the computation of the reaction profiles (stability of intermediates and transition states) and on continuum and micro-solvation models of the water solvent. To reach a full description of the liquid water, molecular mechanics and rare events methods (metadynamics) are currently my favorite tools.
I am currently looking for a master trainee willing to understand nanoparticles growth mechanism in collaboration with my experimental colleague, Benjamin Abécassis. He is an expert of CdSe nanoplatelets and we wish to understand better the reacation cascade from reactants to precusors and then growth of the nano-objects.
I am very proud of being chairwoman of the International Congress of Theoretical Aspects in Catalysis XVIIIth Edition.
We have a wonderfull list of invited speakers!
Dead line to submit is the 17th of January 2022. Looking forward to build a great program thanks to your contributions!
Stefano arrived in January 2022 to work as a postdoc on corrosion in engines with Total Energies.
Agustin arrived in October to work on the DYCAT project with IRCELyon and KIT on Pd/CeO2 and Pt/CeO2 catalysts to unreavel their dynamic behavior in catalytic or regeneration conditions.
Very proud of being granted two prized in 2020!
I was awarded the Young Scientist Prize of the Physical Chemistry division of the French chemical Society and the French Physics society but also the Prize of the Groupe Paris-Lyon in the scientist category.
Thanks to our collaboration with Stephan Steinmann and the intensive work of Carles Aliod Marti, Sarah Blanck, and Paul Clabaut, you can now benefit from our recent developments to:
Congratulations to Sarah Blanck, Paul Clabaut et Adrian Hühn who defended with success their PhDs in 2021 !
Their work cover a wide range of topics: modeling for tribology, force field development, water/alumina interfaces, NMR simulations of phosphates on alumina…
More information in our recent published papers!
Here is the offer for a new postdoc position in the group sustained by Total Energie!