Carine Michel

Danish Pannu started a PhD in november 2019 on the Multiscale Molecular Modeling of electrochemical systems: application to batteries. Her PhD is sustained by PSA and IFPEN.

Toyese Oyegoke started in November 2019 a Phd thesis on « Engineering the selectivity of polyols oxidation using a multiscale approach combining DFT and kinetic modeling » sustained by a PTD fellowship from Nigeria.

In june 2019, Qingyi GU defended with great success her PhD thesis on the modeling of biomass reactions using heterogeneous catalysts.

Jérôme Rey started a postdoc on the adsorption of polyols at the gamma-alumina/water interface in the framework of the ROAD4Cat project.

Kamila successfully defended her PhD thesis on Heterogeneous catalysts for acceptor-less alcohol dehydrogenation – joined experimental and theoretical studies.

Two nice stories came out during the Summer. Thanks a lot to all my collaborators for the great work and investement!

If you want to know more about the reactivity of shape-controlled crystals of alumina in water and how metadynamics simulations managed to locate the weak spots responsible for the transformation of this oxide in water, you can visit the Nature Communication website or, for a French brief description, the CNRS website. A work in collaboration with IRCELyon, IFPEN, and UCLA.

Or, if you are more into catalysts activity and in silico screening, you can discover our findings on alcohol amination by heterogeneous catalysts in Nature Catalysis. Again, a brief description in French on the CNRS website. A work in collaboration with Solvay and its E2P2 Lab, UCCS in Lille, UCLA and Ghent University.

Carles started as a postdoc in July. He will work on a project supported by Total.

and for the nice work on BEP relationships and solvation!

Published recently in PCCP.

Akif Ramzan arrived on Monday the 3rd of December 2018 to start a PhD in computational catalysis in collaboration with E2P2L in Shanghai and IC2MP, Poitiers.