Postdoc: ML-Driven DFT/AIMD for Al–O Systems

Cnrs Inc; France; Presencial; EUR 32.000 - 42.000; Jornada completa

Descripción de la vacante

CNRS, Toulouse, invites applications for a post-doctoral researcher to model the high temperature Al-O system. You will perform DFT and AIMD calculations to extend existing data and advance MLP tooling within a collaborative team.

The role focuses on developing interatomic potentials for Al-O, conducting active learning, and exploring thermochemistry in liquid aluminum, under the LAAS-CNRS Energy Management group.

Formación

• Recent PhD in Materials Science or related field.
• Strong background in computational materials science with DFT and AIMD.
• Experience with VASP and LAMMPS required.

Responsabilidades

• Model high-temperature Al-O system using DFT and AIMD.
• Develop machine learning interatomic potentials (MLP) for Al-O.
• Apply active learning to expand datasets.
• Collaborate within LAAS-CNRS team.

Conocimientos

DFT

AIMD

MLP

Machine learning

Educación

PhD in Materials Science

Herramientas

VASP

LAMMPS

Descripción del empleo

CNRS, Toulouse, invites applications for a post-doctoral researcher to model the high temperature Al-O system. You will perform DFT and AIMD calculations to extend existing data and advance MLP tooling within a collaborative team.

The role focuses on developing interatomic potentials for Al-O, conducting active learning, and exploring thermochemistry in liquid aluminum, under the LAAS-CNRS Energy Management group.