PhD Positions in AI for Chemistry and Generative Models at École normale supérieure Paris École normale supérieure in France

École normale supérieure Paris is advertising PhD opportunities in AI and Chemistry starting Fall 2026, along with a research-engineer role in an open AI platform for chemistry. The post highlights a highly interdisciplinary environment spanning machine learning, chemistry, physics, statistical mechanics, automation, active learning, generative models, and molecular simulation.

PhD 1: Automated Discovery of Homogeneous Catalysts — supervised by Laurence Grimaud and Christian Serre. This project aims to build a fully integrated, closed-loop AI workflow for catalyst optimization, combining automation, active learning, and generative AI.

PhD 2: Generative Models for Reactive Molecular Systems — part of PR[AI]RIE-PSAI, supervised by Marylou Gabrié and Guillaume Stirnemann. The project focuses on next-generation generative approaches to sample rare reactive configurations and support machine-learned interatomic potentials. The deadline for this PhD is May 1.

Research Engineer: Open AI Platform for Chemistry — embedded in the theory groups of Damien Laage, Rodolphe Vuilleumier, and Guillaume Stirnemann. The role is about building and deploying AI tools for the broader chemistry community and includes a planned path to a permanent role at CNRS.

All positions are fully funded for 3 years. The announcement suggests additional chemistry-oriented topics, such as CO₂ reduction, may also be possible, and interested candidates are encouraged to reach out directly.

Application details are available through the linked opportunity pages. The PR[AI]RIE-PSAI PhD deadline is May 1, 2026.