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Portail > Offres > Offre UPR2940-LAUBOY-002 - Postdoc : Forces analytiques dans l'état excité dans le formalisme à N-corps Bethe-Salpeter (H/F)

Postdoc position : Analytic forces in the excited state within the many-body Bethe-Salpeter formalism

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

Date Limite Candidature : lundi 4 octobre 2021

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General information

Reference : UPR2940-LAUBOY-002
Workplace : GRENOBLE
Date of publication : Monday, September 13, 2021
Type of Contract : FTC Scientist
Contract Period : 24 months
Expected date of employment : 1 December 2021
Proportion of work : Full time
Remuneration : Between 2663 € and 3783 € according to experience
Desired level of education : PhD
Experience required : 1 to 4 years

Missions

The hired postdoctoral fellow will be associated with developing and implementing (code Fiesta) the calculation of analytic forces in the excited state of molecular systems within the Bethe-Salpeter formalism, adapting techniques known in time-dependent DFT, as part of the BSE-Forces project funded by the French funding agency (ANR).

Activities

The postdoctoral fellow will be in charge of : - adapting to the Bethe-Salpeter formalism the methodology (derivation of equations) already well documented in the time-dependent DFT formalism, - implementing the related formalism in the many-body GW and Bethe-Salpeter FIESTA code (http://perso.neel.cnrs.fr/xavier.blase/fiesta/) Both tasks will be conducted with the help and guidance of the main developers of the code (X. Blase and I. Duchemin).

Skills

The ideal candidate should have a good background in quantum mechanics and condensed-matter ab initio formalisms (e.g. TD-DFT or many-body Green's function, etc.) with either a physicist or quantum chemist experience, and a taste for coding and implementating in a well stablished computational package (C++/MPI code).

Work Context

The postdoctoral fellow will join the condensed matter and theory group at Institut Néel (about 12 researchers and 8 PhDs and postdoctoral fellows) with a dynamic « ab initio » subgroup composed of 4 permanent researchers. The hired candidate will join a French collaboration with the CEA in Grenoble (Dr. Ivan Duchemin) and Prof. Denis Jacquemin in Nantes for related applications. The project benefits as well from the support of a young PhD associated with the project.

Constraints and risks

The project being theoretical (analytic and numerical develoments), there is no specific risks associated with the project.

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