En poursuivant votre navigation sur ce site, vous acceptez le dépôt de cookies dans votre navigateur. (En savoir plus)
Portail > Offres > Offre UMR7285-FREGUE-001 - Post-doc H/F en modélisation DFT de la réactivité/sélectivité de l'alkylation catalytique du furfural par des alcools biosourcés

Post-doc M/F in DFT modelling of reactivity and selectivity of the catalytic alkylation of furfural with biobased alcohols

This offer is available in the following languages:
Français - Anglais

Date Limite Candidature : lundi 22 août 2022

Assurez-vous que votre profil candidat soit correctement renseigné avant de postuler. Les informations de votre profil complètent celles associées à chaque candidature. Afin d’augmenter votre visibilité sur notre Portail Emploi et ainsi permettre aux recruteurs de consulter votre profil candidat, vous avez la possibilité de déposer votre CV dans notre CVThèque en un clic !

General information

Reference : UMR7285-FREGUE-001
Workplace : POITIERS
Date of publication : Monday, August 1, 2022
Type of Contract : FTC Scientist
Contract Period : 12 months
Expected date of employment : 1 October 2022
Proportion of work : Full time
Remuneration : net salary from 2757 et 3176 € depending on experience (health insurance fully covered)
Desired level of education : PhD
Experience required : Indifferent


At the CNRS, within the IC2MP, the post-doctoral fellow will determine the reaction mechanism for the target reaction (alkylation of furan derivatives in acidic conditions), and study the influence of derivatization on reactivity/selectivity.


- Compute (at the DFT level) the reaction mechanism for the various possible alkylation reactions, for a set of model reagents
- Expand the previous reaction paths to the cases of different furfural derivatives and alcohols
- Participate in the daily animation of the applied quantum chemistry group at IC2MP
- Present the results in conferences and in scientific articles


- Knowledge in reaction mechanism calculation by DFT
- Knowledge in the use of a computer cluster
- Skills in project management at the experiment/theory interface
- Knowledge in fundamental theoretical chemistry and electronic structure analyses (ELF, NBO, QTAIM, CDFT) are an asset
- Training is possible in the frame of the GDR RFCT/research federation TheMoSiA (training in modelling, western section, 2 weeks)

Work Context

The Institute of Chemistry of Media and Materials of Poitiers (IC2MP UMR 7285) is a mixed research unit (UMR) shared between the University of Poitiers and CNRS (INC and INSU), in the fields of chemistry and geosciences. Funded in 2012, it stemmed from the fusion of 4 UMR (LACCO, LCME, SRSN and HYDRASA), present in Poitiers for more than 40 years. It gathers around 260 people (~100 of academics, ~50 dedicated technicians and engineers, ~110 non permanent staff including 90 PhD students). Since its creation, IC2MP developed a science policy around sustainable chemistry by integrating (1) the synthesis of molecules and materials according to atom- and energy- economical processes and (2) their interaction with natural media (reactivity, transfer, bioaccumulation, persistance...). http://ic2mp.labo.univ-poitiers.fr
The post-doctoral fellow will be integrated in the "Catalysis and unconventional media" team, and more precisely in the applied quantum chemistry group, composed of 2 academics.

Constraints and risks

Missions in France are possible.

Additional Information

This project is funded by the ANR (https://anr.fr/Project-ANR-21-CE43-0005).

We talk about it on Twitter!