22/03/2021

PhD position in Computational Materials Sciences

This job offer has expired


  • ORGANISATION/COMPANY
    ICube Research Institute - CNRS
  • RESEARCH FIELD
    PhysicsComputational physics
  • RESEARCHER PROFILE
    First Stage Researcher (R1)
  • APPLICATION DEADLINE
    15/05/2021 00:00 - Europe/Brussels
  • LOCATION
    France › Strasbourg
  • TYPE OF CONTRACT
    Temporary
  • JOB STATUS
    Full-time
  • HOURS PER WEEK
    35
  • OFFER STARTING DATE
    01/10/2021

OFFER DESCRIPTION

First-principles molecular dynamics modelling of excitonic transport and thermal transport in organic semiconductors for energy harvesting

Organic semiconductors, blends of polymers or small molecules, are used in photovoltaic (PV) cells developed in the team MaCEPV of the ICube laboratory in Strasbourg. The aim of the thesis is to study by atomic-scale modeling crucial issues for the optimization of these devices, to complement the experimental skills in synthesis and characterization of materials and devices of the team and its local collaborators. More precisely, the thesis will focus on two points. The first point is the transport of the excitons generated by light absorption, and their diffusion length in the material, that directly impacts the efficiency of the PV cell. The second is that of heat transport in these organic semiconductors whose mechanisms are much less understood to date than for their inorganic counterparts. Unraveling the transport mechanisms in these materials is essential for the development of organic thermoelectric devices. The modeling method that will be used is first-principles molecular dynamics according to the Car- Parrinello approach as implemented in the CPMD code (www.cpmd.org). The calculations will be carried out on regional (at the university of Strasbourg) and national HPC centers. The thesis will take place in the team MaCEPV of the ICube Research Institute, and in a local environment stimulating both from a simulation point of view, with a local consortium of CPMD experts, and from the experimental side, as the team is part of a consortium of chemists and physicists working on organic semiconductors and their applications.

More Information

Selection process

Send your CV, recommendation letters,master  transcript/score report to evelyne.martin@unistra.fr

Offer Requirements

  • REQUIRED EDUCATION LEVEL
    Physics: Master Degree or equivalent
  • REQUIRED LANGUAGES
    FRENCH: Good

Skills/Qualifications

Solid-state physics and/or material sciences at the atomic scale and/or statistical mechanics – Interest for computer simulations.

Work location(s)
1 position(s) available at
ICube Research Institute - CNRS
France
Strasbourg
67037
23 rue du Loess

EURAXESS offer ID: 618436

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