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Portail > Offres > Offre UMR7019-ALEGEN-003 - Poition Postdoctorale - Développement de méthodes basées sur la mécanique quantique pour affiner des structures crsytallographiques de protéines (H/F)

PostDoc position: Development of quantum mechanical methods to refine protein crystallographic struc

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

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General information

Reference : UMR7019-ALEGEN-003
Workplace : METZ
Date of publication : Wednesday, November 28, 2018
Type of Contract : FTC Scientist
Contract Period : 24 months
Expected date of employment : 1 February 2019
Proportion of work : Full time
Remuneration : 2400 € - 2600 € gross per month
Desired level of education : 5-year university degree
Experience required : Indifferent


The PostDoctoral project is mainly focused on the development and the application of new quantum chemistry methods based on Extremely Localized Molecular Orbitals (ELMOs), which are Molecular Orbitals strictly localized on small molecular fragments (e.g., atoms, bonds or functional groups). Exploiting the intrinsic chemical interpretability of the ELMOs, we currently aim at devising new techniques that allow the quantum mechanical description of very large systems at a reduced computational cost and/or the interpretation of global molecular properties in terms of local concepts. The main goal will be the development of new ELMO-based linear scaling strategies for the refinement of protein crystallographic structures.


- Development of theoretical models;

- Implementation of the above mentioned theoretical models in fast and efficient computer codes;

- Test of the developed methods;

- Writing of scientific articles;


- A solid background in theoretical/computational chemistry is required, while studies in crystallography are considered an asset.

- Knowledge of Linux/Unix-based computer systems and Fortran programming languages is desirable.

- Furthermore, given the international environment of the lab, the candidate is expected to have good communication skills in English. Knowledge of French is not immediately required.

Work Context

The Laboratory of Theoretical Physics and Chemistry (LPCT, Laboratoire de Physique et Chimie Théoriques; UMR CNRS 7019) at the University of Lorraine is an internationally recognized research unit which performs research in the following five scientific domains:

1) Dynamics and symmetry;
2) Radiation-Matter Interaction;
3) Liquid State, Interfaces and Solvation;
4) Solid State: Structure and Properties;
5) Biophysics and Biochemistry;

The lab is currently constituted by most of theoreticians (physicists and chemists) working in the Lorraine region and is located on two different sites: the Institute of Chemistry, Physics and Materials at the Technopole in Metz and the Faculty of Science and Technology in Nancy.

Constraints and risks

No particular risks for this PostDoc position.

Additional Information

PostDoc position funded by the ANR project "QuMacroRef"

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