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Portail > Offres > Offre UMR6506-REMGUI-002 - Offre d'emploi Post-doctorant (H/F) - CDD: Simulation avancée de matériaux zéolithiques pour la séparation, le transport et le stockage de CH4 et H2

Post-doctoral position (M/F) - CDD: Advanced simulation of zeolitic materials for the separation, transport and storage of CH4 and H2

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

Date Limite Candidature : mercredi 3 février 2021

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General information

Reference : UMR6506-REMGUI-002
Workplace : CAEN
Date of publication : Wednesday, January 13, 2021
Type of Contract : FTC Scientist
Contract Period : 12 months
Expected date of employment : 22 February 2021
Proportion of work : Full time
Remuneration : 2600 to 3800 EUR gross based on experience and qualifications
Desired level of education : PhD
Experience required : 1 to 4 years


The main objective of the project is to develop and optimize multiscale zeolitic materials for the separation, storage and transport of CH4 and H2 under relevant conditions, thanks to an advanced and efficient strategy of characterization, simulation and modelling.


The agent will be in charge of a research project focusing on the modelling and simulation of modern zeolitic materials by DFT and/or AIMD calculations, including the potential competitive interactions with the envisaged host species (mainly CH4 and H2 as well as contaminants such as CO, CO2, H2S, ...). Accessibility and diffusion studies in complex interconnected structures spanning, if possible, on different pore size scales, are also of particular interest for this project. The theoretical data thus obtained will then serve as a basis and/or confirmation to rationalize and optimize the design of better modern zeolitic materials by reverse engineering for the separation/storage of H2 and CH4 gases as well as other small molecules of interest. The theoretical part of the project will be carried out in close partnership with Dr. M. Badawi (Laboratory of Theoretical Physics and Chemistry, University of Lorraine).


Candidate requirements:
- must have a doctorate in chemistry or chemical engineering or in physics or engineering physics or any related field.
- A relevant experience in materials chemistry will be highly appreciated.
- A solid experience in simulation, modelling and characterization of nanoporous materials is required (eg: DFT, AIMD, MC, ab initio, molecular dynamics simulations, PFG-NMR,…).
- An experience in accessibility and diffusion studies will be a noticeable advantage.
- Be familiar with the field of adsorption at large and with experimental techniques for characterizing porous networks (eg: gas physisorption, multi-nuclear NMR, dynamic sorption, etc.).
-We are looking for a highly motivated candidate who can collaborate in an interdisciplinary team.
- Be efficient and at ease in oral and written communication.
- Mastery of oral and written English is mandatory.

Work Context

The project will take place within the framework of the 2020 RIN RESEARCH Chair of Excellence managed by Rémy Guillet-Nicolas (chargé de recherche, CNRS). The work will mostly be carried out at LCS - Laboratoire Catalyse & Spectrochimie (https://www.lcs.ensicaen.fr) located in Caen (Calvados).
The LCS has built its reputation on the operando spectroscopy of catalysts, that is to say on the observation of materials in the chemical reactor, in real time and during the reaction. Since 2009, LCS has also been recognized worldwide for its research in the design of complex microporous materials, such as modern zeolitic materials, with very specific and adjustable properties. Combining very strong poles in synthesis, infrared spectroscopy, but also in NMR and Raman spectroscopy, LCS occupies a unique place to perform competitive research of the highest level in the field of energy, bioresources and materials. The selected candidate will be attached to UMR6506 and to the zeolite team led by Dr Valentin Valtchev (research director, CNRS). The successful candidate will be supervised by Rémy Guillet-Nicolas and Valentin Valtchev. Very regular exchanges as well as short stays and / or training in the laboratory of Doctor M. Badawi (Lorraine) are to be expected, especially at the beginning of the project. Short trips to different places in France and/or Europe are also likely if and when the health situation will allow it.
The contract is established for a period of 12 months and may be renewed for an additional 8 months based on the performance of the individual.

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