Theoretical characterization of Singlet Fission intermediates (M/F)

Updated: 16 days ago
Location: Orsay, LE DE FRANCE
Job Type: FullTime
Deadline: 03 May 2024

13 Apr 2024
Job Information
Organisation/Company

CNRS
Department

Institut des Sciences Moléculaires d'Orsay
Research Field

Chemistry » Physical chemistry
Chemistry » Computational chemistry
Researcher Profile

First Stage Researcher (R1)
Country

France
Application Deadline

3 May 2024 - 23:59 (UTC)
Type of Contract

Temporary
Job Status

Full-time
Hours Per Week

35
Offer Starting Date

1 Sep 2024
Is the job funded through the EU Research Framework Programme?

Not funded by an EU programme
Is the Job related to staff position within a Research Infrastructure?

No

Offer Description

The goal of this Ph.D. project is to achieve the time-resolved theoretical description of the coupled nucleus-electron dynamics of the intermediate species taking part in the singlet fission process. Our theoretical results will be contrasted to experimental ones from our project partners.

The successful candidate will be responsible for the computation of a set of coupled potential energy surfaces of different multiplicities and for the associated nuclear quantum dynamical simulations.

This Ph.D. project is fully funded by the ANR, French National Research Agency and it makes part of an international consortium of experimentalists and theoreticians aiming at the full characterisation of intermediate species in the Singlet Fission process. The Ph.D. project will be carried out at ISMO the Institut de Sciences Moléculaires d'Orsay belonging to the CNRS and the Paris-Saclay University.


Requirements
Research Field
Chemistry
Education Level
Master Degree or equivalent

Research Field
Chemistry
Education Level
Master Degree or equivalent

Languages
FRENCH
Level
Basic

Research Field
Chemistry » Physical chemistry
Years of Research Experience
None

Research Field
Chemistry » Computational chemistry
Years of Research Experience
None

Additional Information
Eligibility criteria

He/she should have experience in molecular dynamics on excited-states using multiconfigurational electronic structure methods and/or TD-DFT. Basic coding skills (Python, modern Fortran,…) are also expected.


Website for additional job details

https://emploi.cnrs.fr/Offres/CDD/UMR8214-DANPEL-003/Default.aspx

Work Location(s)
Number of offers available
1
Company/Institute
Institut des Sciences Moléculaires d'Orsay
Country
France
City
ORSAY
Geofield


Where to apply
Website

https://emploi.cnrs.fr/Candidat/Offre/UMR8214-DANPEL-003/Candidater.aspx

Contact
City

ORSAY
Website

http://www.ismo.u-psud.fr

STATUS: EXPIRED

Similar Positions