28 Feb 2026
Job Information
- Organisation/Company
CNRS- Department
Institut Charles Gerhardt Montpellier- Research Field
Chemistry
Chemistry » Computational chemistry- Researcher Profile
First Stage Researcher (R1)- Application Deadline
20 Mar 2026 - 23:59 (UTC)- Country
France- Type of Contract
Temporary- Job Status
Full-time- Hours Per Week
35- Offer Starting Date
1 Sep 2026- Is the job funded through the EU Research Framework Programme?
Not funded by a EU programme- Is the Job related to staff position within a Research Infrastructure?
No
Offer Description
The postdoctoral researcher will have the primary responsibility of developing predictive tools based on machine learning for the analysis and interpretation of Raman vibrational spectra applied to battery materials.
The successful candidate will design and implement machine learning models dedicated to the prediction, interpretation, and quantitative analysis of Raman vibrational spectra, establishing explicit links between structure, local chemical environment, electronic properties, and spectroscopic response. A major component of the project will focus on coupling DFT calculations with machine learning models to accelerate spectral prediction, identify robust physico-chemical trends, and extract relevant structural and electronic descriptors to inform the models.
Particular attention will be paid to ensuring consistency between theoretical and experimental data, as well as to the development of a structured database generated from ab initio calculations and enriched through machine learning approaches. The objective is to develop predictive tools to analyze electrochemical evolution, reaction mechanisms, and aging phenomena at electrode-electrolyte interfaces.
This position is part of the national PEPR Batteries program. The project aims to develop innovative approaches combining ab initio modeling, Raman vibrational spectroscopy, and machine learning for the study of electrode materials and their interfaces, with a focus on operando monitoring of full battery cells.
The position is based at the Institut Charles Gerhardt Montpellier, within the Theoretical Physical Chemistry & Modeling Department, in an environment at the interface between modeling, spectroscopy, and materials science for energy applications. The work will be carried out in close collaboration with experimental researchers developing advanced Spatially Offset Raman Spectroscopy (SORS) methods.
Where to apply
- Website
- https://emploi.cnrs.fr/Candidat/Offre/UMR5253-MOUBEN-002/Candidater.aspx
Requirements
- Research Field
- Chemistry
- Education Level
- PhD or equivalent
- Research Field
- Chemistry
- Education Level
- PhD or equivalent
- Languages
- FRENCH
- Level
- Basic
- Research Field
- Chemistry
- Years of Research Experience
- None
- Research Field
- Chemistry » Computational chemistry
- Years of Research Experience
- None
Additional Information
Eligibility criteria
Applicants should hold a PhD in theoretical chemistry, physics, materials science, or a related field;
-demonstrate strong expertise in machine learning (regression, neural networks);
-have experience in vibrational modeling and DFT methods;
-possess solid skills in scientific programming (Python) and data processing ;
-have ability to work in an interdisciplinary environment involving both modelers and experimentalists.
- Website for additional job details
https://emploi.cnrs.fr/Offres/CDD/UMR5253-MOUBEN-002/Default.aspx
Work Location(s)
- Number of offers available
- 1
- Company/Institute
- Institut Charles Gerhardt Montpellier
- Country
- France
- City
- MONTPELLIER
Contact
- City
MONTPELLIER- Website
http://www.icgm.fr
STATUS: EXPIRED
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