Postdoc: ML‑Driven 2D Phonon Dynamics in vdW Materials

CNRS; France; Sur place; EUR 32 000 - 42 000; Plein temps

Résumé du poste

The 2DPAM project at CNRS, Laboratory Charles Coulomb, seeks a postdoctoral researcher to develop computational methods for phonon dynamics in encapsulated 2D materials. You will extend solvers, run DFT phonon calculations, and apply ML interatomic potentials to predict electronic and thermal properties.

Supervision from Thibault Sohier and collaboration with experimental teams are key aspects of this position on the Triolet campus, Montpellier. A PhD in physics or related field is required.

Qualifications

• PhD in Physics, Materials Science, or a related field.
• Experience with Density Functional Theory (DFT) simulations, especially for 2D materials and phonon calculations.
• Proficiency in machine learning techniques for materials science, especially ML interatomic potentials.
• Knowledge of electron-phonon and phonon-phonon interactions and Boltzmann transport equations.

Responsabilités

• Develop and apply computational methods to simulate phonon dynamics in encapsulators.
• Compute phonon frequencies and lifetimes and integrate results into transport models.
• Employ machine learning interatomic potentials to overcome compute barriers and validate against data.

Connaissances

DFT simulations

ML interatomic potentials

Boltzmann transport

Python/Fortran

Electron-phonon interactions

Formation

PhD in Physics or Materials Science

Outils

TDEP

Description du poste

The 2DPAM project at CNRS, Laboratory Charles Coulomb, seeks a postdoctoral researcher to develop computational methods for phonon dynamics in encapsulated 2D materials. You will extend solvers, run DFT phonon calculations, and apply ML interatomic potentials to predict electronic and thermal properties.

Supervision from Thibault Sohier and collaboration with experimental teams are key aspects of this position on the Triolet campus, Montpellier. A PhD in physics or related field is required.