General information
Offer title : Postdoctoral position on selective methane adsorption in hybrid covalent organic polymers (M/F) (H/F)
Reference : UMR5266-ROBPOL-006
Number of position : 1
Workplace : ST MARTIN D HERES
Date of publication : 03 February 2026
Type of Contract : Researcher in FTC
Contract Period : 10 months
Expected date of employment : 1 April 2026
Proportion of work : Full Time
Remuneration : from 3041€ gross salary per month, depending on experience and in accordance with the CNRS salary grid
Desired level of education : Doctorate
Experience required : Indifferent
Section(s) CN : 07 -
Missions
The postdoctoral researcher will carry out numerical simulation research aimed at understanding and predicting the mechanisms of methane adsorption in innovative hybrid covalent porous materials developed within the framework of the ANR ANGSTROEM project.
The overall objective is to establish structure–property relationships in order to optimize these materials for natural gas storage applications based on adsorption.
Activities
The postdoctoral researcher will be primarily involved in the following activities:
1. Investigation of the microscopic mechanisms of methane adsorption using ab initio approaches (periodic DFT).
2. Parameterization and validation of force fields based on quantum chemical calculations.
3. Classical simulations of adsorption, including grand canonical Monte Carlo simulations (adsorption isotherms), free energy calculations (e.g., Wang–Landau methods), and molecular dynamics to study adsorption/desorption kinetics.
4. Analysis of the impact of natural gas impurities (CO₂, N₂, H₂O, light hydrocarbons) on adsorption properties.
5. Comparison and validation of numerical results against experimental data obtained by the project partners.
6. Active participation in scientific exchanges within the consortium (meetings, publications, presentations).
Skills
• PhD in physics, theoretical chemistry, materials science, or a related field.
• Strong experience in molecular modeling and/or atomistic simulations.
• Proficiency in one or more of the following approaches: periodic DFT calculations, Monte Carlo simulations, and/or molecular dynamics.
• Background in adsorption in porous materials or statistical physics is an asset.
• Ability to work in an interdisciplinary and collaborative research environment.
• Good command of scientific English, both written and spoken.
Work Context
The position is part of the ANR ANGSTROEM project, which brings together several complementary teams in materials chemistry, gas adsorption, and theoretical modeling.
The postdoctoral researcher will be based at the Grenoble university campus, with activities shared between the LIPhy and SIMaP laboratories, and will be co-supervised by Roberta Poloni and Benoît Coasne, CNRS researchers specializing in the modeling of adsorption phenomena.
The project offers a stimulating scientific environment, with strong coupling between theory and experiment and international visibility.