Postdoctoral researcher (M/F) in biomass valorisation and computational catalysis

Job Description

Missions

-Aromatic polymers are essential for the production of high-performance materials, particularly in the automotive and aerospace industries. While these compounds are generally derived from fossil resources, growing concerns about environmental issues are encouraging the development of new bio-based production pathways. One innovative approach involves coupling furans, derived from lignocellulose, with light olefins via the Diels-Alder (DA) reaction to obtain aromatic monomers. In this project, we aim to develop digital tools combining density functional theory (DFT) and machine learning (ML) to accelerate the in-silico design of solid catalysts for the DA process.

Activity

- Perform theoretical calculations to identify the catalysts to be used to obtain monomers that will subsequently be synthesised.
- Interact with experimenters
- Develop an extensive database based on DFT calculations performed on materials with various chemical compositions
- Extract an ML

Your Profil

Skills

She/he must have solid knowledge of surface chemistry and catalysis, DFT and ML. She/he must be familiar with VSAP software and Python. She/he must be rigorous, curious and able to communicate in English. She/he must be proactive in this project.

Your Work Environment

-This research will be conducted at the CNRS through a collaboration between the Institute of Chemistry of Environments and Materials in Poitiers (IC2MP) located at the University of Poitiers in France and E2PEL, located in Shanghai, China. IC2MP is a joint unit between the University of Poitiers and the CNRS working on the design of sustainable reactions/products. It is an interdisciplinary institute that studies (1) the design of clean processes (catalysis, bio-solvents, renewable energies, alternative technologies, etc.) and (2) the transfer and bioaccumulation of organic molecules in ecosystems. In this project, the candidate will join the 'Catalysis in Unconventional Environments' team. The team conducts research on (1) the replacement of fossil carbon with renewable carbon and (2) the development of clean technologies for chemistry. The candidate will have full access to the IC2MP analytical platform (PLATINA), which includes all the major equipment required to characterise the organic molecules and catalysts generated as part of this project (XPS, XRD, TEM/SEM, mass spectrometry, NMR, etc.).
The E2P2L (Eco-Efficient Products and Processes Laboratory) in Shanghai is an international research centre founded in 2011 through a partnership between the CNRS, the Solvay Group (now Syensqo) and six other French and Chinese universities. This unique consortium brings together academic and industrial researchers to develop innovative, sustainable and environmentally friendly chemical processes and products, with a strong commitment to green chemistry, biomass recovery, the circular economy and advanced materials. Combining experimental approaches and artificial intelligence-assisted theoretical chemistry tools, E2P2L stands out for its close collaboration between industry and academia, playing a key role in accelerating scientific solutions to global environmental challenges.
The place of work will be mainly in China with short stays in France

Compensation and benefits

Compensation

Gross monthly salary between 3041,58 € and 3467,33 € depending on experience

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

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