4 dft "https:" PhD positions at CNRS in France

PhD position in chemical reaction engineering M/F

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

-41 https://doi.org/10.1016/j.psep.2020.07.017 🎓 What you will gain • Strong expertise in advanced kinetic modeling • Hands-on experience with calorimetric instrumentation • Exposure to DFT and AI

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 | 28 days ago

mechanisms in porous liquids. Density Functional Theory (DFT) calculations will allow analysis of specific interactions between gas molecules and POSS cages. **Scientific Environment** The PhD will be carried

M/F CDD PhD position: Development of catalytic materials for the electro-conversion of CO2 to produce C2 oxygenates

CNRS | Montpellier, Languedoc Roussillon | France | about 2 months ago

, combining theoretical (DFT modeling) and experimental approaches. - Study of reaction mechanisms: Identify key intermediates and reaction pathways that promote the formation of C–C bonds, using in situ

PhD thesis in heterogeneous catalysis (M/F)

CNRS | Villeurbanne, Rhone Alpes | France | about 2 months 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