Postdoctoral position on selective methane adsorption in hybrid covalent organic polymers (M/F)

Sciences et Ingénierie, Matériaux, Procédés

ST MARTIN D HERES • Isère

  • Researcher in FTC
  • 10 mounth
  • Doctorate

This offer is available in English version

This offer is open to people with a document recognizing their status as a disabled worker.

Offer at a glance

The Unit

Sciences et Ingénierie, Matériaux, Procédés

Contract Type

Researcher in FTC

Working hHours

Full Time

Workplace

ST MARTIN D HERES ()

Contract Duration

10 mounth

Date of Hire

01/04/2026

Remuneration

from 3041€ gross salary per month, depending on experience and in accordance with the CNRS salary grid

Apply Application Deadline : 24 February 2026 23:59

Job Description

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.

Activity

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).

Your Profil

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.

Your Work Environment

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.

Compensation and benefits

Compensation

from 3041€ gross salary per month, depending on experience and in accordance with the CNRS salary grid

Annual leave and RTT

44 jours

Remote Working practice and compensation

Pratique et indemnisation du TT

Transport

Prise en charge à 75% du coût et forfait mobilité durable jusqu’à 300€

About the offer

Offer reference UMR5266-ROBPOL-006

About the CNRS

The CNRS is a major player in fundamental research on a global scale. The CNRS is the only French organization active in all scientific fields. Its unique position as a multi-specialist allows it to bring together different disciplines to address the most important challenges of the contemporary world, in connection with the actors of change.

CNRS

The research professions

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Postdoctoral position on selective methane adsorption in hybrid covalent organic polymers (M/F)

Researcher in FTC • 10 mounth • Doctorate • ST MARTIN D HERES

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