2 dft PhD positions at CNRS

PhD (M/F) in materials modeling

CNRS | Marseille 13, Provence Alpes Cote d Azur | France | 27 days ago

wide range of scientific skills, with each supervisor covering a specific area of expertise (DFT and Thermodynamics, Kinetics, Molecular Dynamics and ML potentials). The candiadte will contribute to a

PhD thesis in computational electrocatalysis: Understanding of catalyst deactivation and design of improved catalysts (F/M, M/F)

CNRS | Lyon 07, Rhone Alpes | France | about 1 month ago

grand-canonical DFT, treating the electrochemical potential explicitly and the solvent implicitly. A part of the mechanistic study, related to the adsorption/desorption of reactants and products, will be