2 dft-simulation "https:" PhD positions at CNRS

PhD Candidate (M/F) in Physical Chemistry and Materials Science: Experimental and Theoretical Study of CO₂ and H₂ Adsorption in Type I Porous Liquids

CNRS | Montpellier, Languedoc Roussillon | France | 17 days ago

the mechanisms of sorption and diffusion; (iv) to establish relationships between molecular structure and adsorption properties; and finally (v) to combine experiments and simulations to predict the performance

PhD thesis in heterogeneous catalysis (M/F)

CNRS | Villeurbanne, Rhone Alpes | France | about 1 month ago

of oxygenates from CO and/or CO2, and mechanistic studies including operando spectroscopy and possibly numerical simulations (microkinetics, DFT). The objective is to discover new eco-efficient catalytic phases