postdoc (M/F) in Artificial intelligence assisted design of nanoporous carbon electrodes

Job Description

Missions

The postdoctoral researcher will contribute to the development of AI-assisted automated design workflows for nanoporous carbon electrodes for sodium-ion batteries. The objective is to accelerate the exploration of virtual carbons with varied microstructures by combining numerical structure generation, targeted atomistic simulations, structural descriptor extraction, and predictive models. The work will aim to establish links between local pore geometry, structural disorder, sodium adsorption sites, and potential storage performance.

Activity

The recruited researcher will develop and test rapid screening strategies for nanoporous carbons, based on structures numerically generated within the team. They will analyze data from existing simulations, identify relevant descriptors of carbon microstructure, implement AI models to predict adsorption, local densities, and energetic trends, and validate these predictions through targeted atomistic simulations. They will also contribute to the writing of scientific results and to exchanges with the project collaborators.

Your Profil

Skills

The position requires a strong background in physics, physical chemistry, or materials science, with experience in atomistic simulations, ideally molecular dynamics and/or DFT. Scientific programming skills, particularly in Python, are expected. Familiarity with machine learning or generative AI methods applied to materials would be a strong asset. The candidate should demonstrate autonomy, scientific rigor, and the ability to work in an interdisciplinary environment combining simulation, artificial intelligence, and energy materials.

Your Work Environment

The work will be carried out at the Laboratoire de Physique de l'ENS, within Team 23, Materials for Energy from Advanced Modeling, in a strongly interdisciplinary environment at the interface between atomistic simulation, artificial intelligence, and battery materials. LPENS is a joint research unit of ENS-PSL, CNRS, Sorbonne Université, and Université Paris Cité, covering a broad spectrum of fundamental, theoretical, and experimental physics. The three-month contract will build on the team's recent developments in the numerical synthesis of nanoporous carbons and on collaborations in AI and electrochemistry of carbon-based materials.

Constraints and risks

No risks or constraints

Compensation and benefits

Compensation

3131

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