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Portal > Offres > Offre UMR7019-MARPAS-003 - Postdoc (H/F) : développement des modèles d'apprentissage automatique pour la photochimie ab initio

Postdoc (M/F) :Development of machine learning models for ab initio photochemistry

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

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General information

Reference : UMR7019-MARPAS-003
Workplace : VANDOEUVRE LES NANCY
Date of publication : Monday, March 23, 2020
Type of Contract : FTC Scientist
Contract Period : 24 months
Expected date of employment : 4 May 2020
Proportion of work : Full time
Remuneration : 2643 € à 3766 € according to candidate's experience
Desired level of education : PhD
Experience required : Indifferent

Missions

The postdoctoral project will focus on the development and application of ab initio multireference methods assisted by machine learning models for the exploration of multi-state potential energy surfaces of polyatomic molecules and the associated nonadiabatic dynamics.

Activities

- Development of theoretical models
- Implementation of theoretical models
- Application of the methods developed;
- Valorization of results (writing of articles and scientific reports, oral presentations).
- Participation to the laboratory activities.

Skills

- Solid background in theoretical chemistry

- Experience in the calculation of excited states and particularly in the field of computational photochemistry. The good knowledge of multireference methods (CASSCF / CASPT2 / NEVPT2) will be considered as an added value.

- A very good knowledge of computer systems based on Linux / Unix and programming languages ​​(python, fortran, C ++) is desirable.

- Excellent communication in English.

Work Context

The Laboratoire de Physique et Chemie Théoriques (LPCT; UMR CNRS 7019) of the University of Lorraine is an internationally recognized research unit which conducts research in the following five scientific areas:

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

The laboratory currently brings together the majority of theorists (physicists or chemists) from Lorraine.

Constraints and risks

nothing to declare

Additional Information

Starting date is flexible

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