Postdoctoral Position (M/F) in AI-Based Molecular Simulations for Sustainable Hair Care (in partnership with L'Oréal Paris)

Job Description

Missions

A postdoctoral research position (PDRA) is available (fully funded, 18-month term) for the modeling of hair care formulations based on bio-based polymers and surfactants at the Charles Sadron Institute (ICS) in Strasbourg, France, as part of the ADMIRER consortium. The project brings together three teams: the “Polymer Theory and Simulation” (TSP) and “Physics of Membranes and Soft Matter” (MCUBE) teams at the ICS, as well as the “Hair & Skin Science” department dedicated to advanced research at L'Oréal's Innovation Center (Clichy, Paris).

The research will be conducted at the Charles Sadron Institute, which operates under the auspices of the CNRS and the University of Strasbourg. The research project will be supervised by Dr. William Fall and will begin on Dec 1st or shortly thereafter.

Activity

Objective: To revolutionize sustainable hair care by replacing petrochemical-based formulations with bio-based, high-performance alternatives, using AI-accelerated “coarse-graining” simulations and classical molecular dynamics simulations.

L'Oréal and the CNRS have pioneered an innovative approach aimed at designing non-toxic, biodegradable, and cost-effective hair care products. The Ph.D. student will develop machine learning models to automate coarse-graining and generate training datasets for polysaccharides (e.g., cellulose, chitosan) and rhamnolipid surfactants, thereby enabling large-scale simulations of their interactions with damaged hair surfaces.

This project bridges computational chemistry, materials science, and AI, with a direct industrial impact on cosmetic formulation.

Main Responsibilities:
• Developing AI models (TensorFlow/Keras) to automate mesh refinement and generate training datasets using LAMMPS and high-performance computing (HPC) infrastructure.
• Comparing the potentials generated by AI with the “all-atom” data provided by L'Oréal.
• Screening bioformulations and identifying target systems for cosmetic formulation.
• Collaborating with L'Oréal's R&D team and integrating new discoveries into their workflow.
• Participating in international conferences and publishing in high-impact journals.

Your Profil

Skills

• Ph.D. in physics, materials science, AI/machine learning applied to the discovery of new materials, or computational chemistry.
• Strong grasp of statistical mechanics and polymer physics as applied to molecular simulations.
• Expertise in molecular dynamics (LAMMPS/GROMACS), grain-refinement methods, and machine learning.

Your Work Environment

• Cutting-edge research at the intersection of AI, sustainable development, and cosmetics, with a direct impact on the industry.
• Access to world-class high-performance computing (HPC) infrastructure (the Adastra supercomputer).
• Collaboration with L'Oréal's global R&D department.
• Living in Strasbourg, France: a dynamic and multicultural city in the heart of Europe.

Compensation and benefits

Compensation

€3,100 to €4,300 gross per month

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

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.

CNRS

The research professions