4 dft-"https:" PhD positions at CNRS

PhD position in chemical reaction engineering M/F

CNRS | Villeurbanne, Rhone Alpes | France | 8 days 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

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

CNRS | Montpellier, Languedoc Roussillon | France | 12 days 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 | 12 days 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

PhD position in Chemistry (M/F)

CNRS | Gif sur Yvette, le de France | France | about 2 months ago

gas analysis, a GC/MS, and an HPLC/MS. DFT calculations will be performed using annual allocations on national high-performance computing centers. More details here: https://iramis.cea.fr/en/nimbe/lcmce