Atomistic and Machine-Learning Modelling of the Aluminum Combustion (M/F)
New
- Researcher in FTC
- 18 months
- Doctorate
This offer is available in English version
This offer is open to people with a document recognizing their status as a disabled worker.
Offer at a glance
The Unit
Laboratoire d'analyse et d'architecture des systèmes
Contract Type
Researcher in FTC
Working hHours
Full Time
Workplace
31031 TOULOUSE
Contract Duration
18 months
Date of Hire
01/11/2026
Remuneration
3040-4200 euros
Apply Application Deadline : 09 October 2026 23:59
Job Description
Missions
The way aluminum is reacting with an oxidative atmosphere is of major interest in a number of timely applications, i.e. propellants, energetic materials at large, cyclable green energy production … We are seeking a strongly motivated post-doctoral researcher to work on the modelling of the high temperature Al-O system.
The candidate will take in charge DFT and AIMD (ab initio Molecular Dynamics) calculations to complete the set of already available data from our group, to answer specific and mechanistic at the most fundamental level of these systems. He will further develop MLP (Machine Learning Potential) using standard techniques, including active learning procedures.
The project has several scientific objectives:
(i) Establish/consolidate a machine learning interatomic potential dedicated to the Al-O system in the Al liquid temperature window,
(ii) Study the thermochemistry of oxide nucleation and growth within liquid aluminum
(iii) Investigate the interaction of alumina aggregates with liquid Al droplets.
Activity
DFT calculations
Machine learning tools for generating interatomic potentials
Molecular Dynamics
Your Profil
Skills
A recent PhD degree (within last three to five years) in Materials Science, noticeably Chemistry or related disciplines is required. We seek for a strongly motivated student with strong background in computational materials sciences, with skills in manipulating Density Functional Theory codes (VASP and LAMMPS mandatory) and MLP tools.
Your Work Environment
Position is in Toulouse (LAAS-CNRS laboratory), under the supervision of A. Estève and C. Rossi, MRS team, Energy Management department
Constraints and risks
no pertinent
Compensation and benefits
Compensation
3040-4200 euros
Annual leave and RTT
44 jours
Remote Working practice and compensation
Pratique et indemnisation du TT
Transport
Prise en charge à 75% du coût et forfait mobilité durable jusqu’à 300€
About the offer
| Offer reference | UPR8001-ALAEST-007 |
|---|---|
| CN Section(s) / Research Area | Mathematics and mathematical interactions |
| Relevant experience | 1 to 4 years |
About the CNRS
The CNRS is a major player in fundamental research on a global scale. The CNRS is the only French organization active in all scientific fields. Its unique position as a multi-specialist allows it to bring together different disciplines to address the most important challenges of the contemporary world, in connection with the actors of change.
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