Post-doctoral scientist (M/F) in ab initio material modeling and prediction of NMR parameters

Updated: about 2 months ago
Location: Orleans, CENTRE
Job Type: FullTime
Deadline: 24 Mar 2025

4 Mar 2025
Job Information
Organisation/Company

CNRS
Department

Conditions Extrêmes et Matériaux : Haute température et Irradiation
Research Field

Chemistry
Physics
Technology
Researcher Profile

Recognised Researcher (R2)
Country

France
Application Deadline

24 Mar 2025 - 23:59 (UTC)
Type of Contract

Temporary
Job Status

Full-time
Hours Per Week

35
Offer Starting Date

5 May 2025
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

At CNRS, in the CEMHTI laboratory (Conditions Extrêmes et Matériaux : Haute Température et Irradiation) in Orléans, the MATRMAG team - "Materials and Magnetic Resonance" of the CEMHTI-CNRS laboratory (UPR 3079) is recruiting a researcher.

As part of the European project ULTRABAT (BATTERY2030+), you will be responsible for modeling the NMR parameters of lithium ions in and at the interface of battery cathode materials.

The ULTRABAT project focuses on the transfer of ionic and electronic charges at the interface of materials, which are the cause of many limitations and degradation processes in batteries. The goal is to characterize the state of the interface, the mobility of lithium and electronic charges at this level, using materials with controlled morphology and surface state, through isotopic exchange techniques and/or homo/heteronuclear correlations. This study will be conducted in collaboration with specialists in microscopy, RX and optical methods, and modeling (DFT/molecular dynamics).

- Modeling the NMR parameters of selected lithium battery cathode materials within the ULTRABAT project.
- Modeling the interface and local NMR parameters in collaboration with the modeling group at DTU (Denmark) and IMN (Nantes, France).
- Conducting NMR experiments on the studied materials if necessary.
- Processing and interpreting data.
- Publishing results and participating in conferences.
- Writing reports, technical documents, and scientific publications.

CEMHTI is a CNRS laboratory (approximately 100 people) and hosts an NMR platform with 6 spectrometers (from 200 to 850 MHz) and a variety of MAS probes (from 7 to 0.7 mm) or static probes for imaging or diffusion, belonging to the national platforms INFRANALYTICS or RS2E.

The European project ULTRABAT (5 M€) brings together a consortium including DTU (Denmark), Eu-XFEL (Germany), CNRS, and Collège de France, and is part of the European initiative BATTERY 2030+. The contract is renewable up to 30 months.

The researcher will be based at the high-temperature site of the laboratory, joining the "Materials and Magnetic Resonance" team.

Application deadline: 25/03/2025


Where to apply
Website
https://emploi.cnrs.fr/Candidat/Offre/UPR3079-MICDES-006/Candidater.aspx

Requirements
Research Field
Chemistry
Education Level
PhD or equivalent

Research Field
Physics
Education Level
PhD or equivalent

Research Field
Technology
Education Level
PhD or equivalent

Languages
FRENCH
Level
Basic

Research Field
Chemistry
Years of Research Experience
1 - 4

Research Field
Physics
Years of Research Experience
1 - 4

Research Field
Technology
Years of Research Experience
1 - 4

Additional Information
Eligibility criteria

- Modeling of materials using DFT and calculation of NMR parameters.
- Experience in experimental NMR.
- Basic knowledge of electrochemistry, magnetic and electronic properties, and solid-state chemistry.
- Proficiency in the necessary computer tools for operating equipment and processing and analyzing data.
- Adherence to health and safety regulations in the field.


Website for additional job details

https://emploi.cnrs.fr/Offres/CDD/UPR3079-MICDES-006/Default.aspx

Work Location(s)
Number of offers available
1
Company/Institute
Conditions Extrêmes et Matériaux : Haute température et Irradiation
Country
France
City
ORLEANS
Geofield


Contact
City

ORLEANS
Website

http://www.cemhti.cnrs-orleans.fr

STATUS: EXPIRED

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