Discover ChemAI

The goal of the ChemAI project is to bring Université PSL to the forefront of the on-going data science/artificial intelligence revolution in chemistry. More specifically, the aim of this project is three-fold:

1. to transform the way experimental and theoretical data is produced and collected at PSL, enabling the creation of effective databases of crucial importance for the development of AI based models,
2. to foster the use of AI guided design in chemistry, allowing the exploration of a much wider chemical space than accessible through traditional means,
3. to achieve scientific breakthroughs, enabled by AI, in various domains of chemistry.

To achieve these goals, we envision the creation of a research data hub, facilitating data registration and sharing – both within the university and beyond, through interfaces with existing community-wide, domain-specific databases – with the aim of fostering streamlined collaboration between experimental and theoretical research groups.

Additionally, we intend to update critical parts of the research infrastructure of the participating groups to facilitate higher volume – and potentially high-throughput – data-driven experimentation, by making the necessary investments at the university level. With a universally adopted data management system and updated research infrastructure, new types of projects and collaborations will be established among the various groups involved in the project.