Post-Doctoral position M/F on vibrational properties with ab-initio calculations
Role: Post-Doctoral position M/F on vibrational properties with ab-initio calculations
Organization: CNRS - National Center for Scientific Research, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie (IMPMC)
Location: Paris, France
Contract Type: Temporary, Full-time (35 hours/week)
Start Date: 1 Nov 2026
Application Deadline: 26 Jun 2026
Role Overview:
The candidate will contribute to the theoretical part of the combined experimental/theoretical ANR project BF2D (Beyond Fourier heat flux manipulation through 2D materials). The position involves investigating theoretically, using first-principles methods, the vibrational properties of different well-identified atomic scale defects occurring in graphene and other 2D materials. The candidate will benefit from strong interaction with collaborators in the framework of the ANR BF2D in France.
Responsibilities:
- Investigate vibrational properties of atomic scale defects in graphene and other 2D materials using first-principles methods.
- Apply the force-constant matching approach, involving ab initio calculation of force constants on smaller subsystems, which are then assembled to build the dynamical matrix of the entire system of interest.
- Use codes based on Density Functional Theory, such as the Quantum ESPRESSO suite, for structural relaxation, in-depth electronic structure analysis, and vibrational properties investigation of subsystems using finite-displacement or linear response techniques.
- Extend and adapt codes already developed in the lab for constructing the dynamical matrix of larger systems containing up to a few tens of thousands of atoms to provide a well-converged, realistic model of the systems investigated experimentally.
- Analyze results by calculating quantities such as EELS spectra, dynamic structure factors, phonon dispersions, or projected phonon densities of states.
Requirements and Qualifications:
- PhD degree in condensed matter physics or materials science.
- Prior experience in ab initio calculations (Density Functional Theory).
- Good programming skills (Fortran, Python).
- Fluent English (both spoken and written).
- Basic French language skills.
- Strong taste for solid-state and numerical physics.
What They Offer:
- Position within a world-leading laboratory (IMPMC) for the development and modeling of light, X-ray, and electron-based spectroscopies.
- Access to worldwide recognized expertise in core-level spectroscopies (X-ray absorption spectroscopy, X-ray circular magnetic dichroism, X-ray Raman Scattering) and vibrational spectroscopies (IR absorption, non-resonant inelastic X-ray scattering, Raman, and vibrational electron energy loss spectroscopy).
- Collaboration opportunities within the ANR BF2D project.