4 molecular-modeling-or-molecular-dynamic-simulation PhD positions at CNRS

PhD position (M/F) : Quantum Mechanical Investigation of Light-to-Mechanical Energy Conversion in Molecular Photoswitches.

CNRS | Paris 13, le de France | France | 5 days ago

systems (LIED, Université Paris Cité), experts in classical atomistic simulations (molecular dynamics and coarse-graining, LMCE, CEA/DAM/DIF), as well as specialists in continuum simulations (finite element

PhD in molecular simulation of membrane proteins (M/F)

CNRS | Orsay, le de France | France | 4 days ago

the construction of 3D models of protein complexes inserted in membranes to quantuim chemistry calculations, including classical molecular dynamics simulations. The major points that will be under scrutiny during

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 | 18 days ago

at the molecular scale. Grand Canonical Monte Carlo (GCMC) simulations will be performed to predict adsorption isotherms and selectivities. Molecular dynamics simulations will be used to investigate diffusion

M/F PhD position on phase-field modeling of solidification microstructures in aluminum alloys

CNRS | Palaiseau, le de France | France | 6 days ago

physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP