2 density-functional-theory-molecular-dynamics "https:" Postdoctoral positions at CNRS

Postdoctoral Position (M/F) in Computational Modeling of NHC Adsorption and Self-Assembled Monolayers for Corrosion Protection

CNRS | Paris 05, le de France | France | 2 months ago

combine density functional theory (DFT), molecular simulations, and machine-learning force field (ML-FF) development to uncover the factors controlling NHC–surface interactions and to model realistic

Postdoc on multiscale modelling of H in steels M/F

CNRS | Villeurbanne, Rhone Alpes | France | 3 months ago

performing atomistic simulations with Density Functional Theory and Molecular Dynamics. Data analysis and coarse graining in order to provide parametrisations for upper scale models (Kinetic Monte Carlo and