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Portail > Offres > Offre UMR8247-FRACOU-006 - Post-doctorant.e en chimie théorique / science des données (H/F)

Post-doctoral researcher in computational chemistry / data sciences

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

Date Limite Candidature : mercredi 14 décembre 2022

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General information

Reference : UMR8247-FRACOU-006
Workplace : PARIS 05
Date of publication : Wednesday, November 23, 2022
Type of Contract : FTC Scientist
Contract Period : 24 months
Expected date of employment : 1 January 2023
Proportion of work : Full time
Remuneration : from 2890 € to 4083 € monthly gross according to experience
Desired level of education : PhD
Experience required : 1 to 4 years


The goal of the project is to study the adsorption properties of Metal-Organic Frameworks (MOF) nanoporous materials, based on experimental data and molecular simulations, in order to establish predictive models based on Artificial Intelligence methods.


- Statistical analysis of existing databases (experimental and theoretical)
- Generation of structure/property predictive models by statistical learning (machine learning)
- Molecular simulations of nanoporous materials


- Molecular simulation
- Programming in Python language
- Machine learning methods

Work Context

This work will be carried out within the framework of the national PEPR Diadem project, in the MOFLearning axis (https://www.cnrs.fr/en/node/6848), in collaboration with Dr. C. Serre (CNRS, ENS/ESPCI, PSL) for the synthesis and characterization, and teams from CEA Marcoule (Dr. D. Meyer et al).

This position is located in a sector covered by the protection of scientific and technical potential (PPST) and therefore requires, in accordance with the regulations, that your arrival be authorized by the competent authority of the MESR.

Constraints and risks

No constraints identified, computational work.

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