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Driving Data to Discovery
Data Machine learning Chemistry
About
The ChemAI project aims to establish Université PSL as a leader in applying data science and artificial intelligence to chemistry.
Its goals are to transform data collection for better AI-ready databases, promote AI-driven chemical design to explore broader chemical spaces, and enable breakthroughs across chemistry domains.
To support this, ChemAI will create a centralized research data hub to streamline data sharing within PSL and with external databases, enhancing collaboration between experimental and theoretical groups. Additionally, the project will invest in upgrading research infrastructure, enabling high-throughput experimentation and unified data management, fostering innovative, data-driven research and new types of scientific partnerships.
Its goals are to transform data collection for better AI-ready databases, promote AI-driven chemical design to explore broader chemical spaces, and enable breakthroughs across chemistry domains.
To support this, ChemAI will create a centralized research data hub to streamline data sharing within PSL and with external databases, enhancing collaboration between experimental and theoretical groups. Additionally, the project will invest in upgrading research infrastructure, enabling high-throughput experimentation and unified data management, fostering innovative, data-driven research and new types of scientific partnerships.
We hope to nurture a new culture around data generation and management across the various chemistry laboratories of Université PSL.
Main areas of research
Once the initial foundations have been laid, we plan to focus on four main areas of research in which Université PSL has already demonstrated considerable expertise:
- optimization of chemical transformations/synthesis
- material design
- analysis and prediction of complex information (resolved in time)
- fundamental research in artificial intelligence adapted to chemistry
News
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"Positioning PSL at the forefront of the digital revolution in chemistry"
Interview with Thijs Stuyver, researcher in digital chemistry at Chimie ParisTech - PSL, holder of the PR[AI]RIE-PSAI Chair, and co-leader of the ChemAI Major Program (Chemistry informed models: Artificial Intelligence for Chemistry).
PSL's collaborating institutions
The Research program's institutional ecosystem is made up of several schools from Université PSL: Chimie Paristech - PSL, École Normale Supérieure - PSL and the École supérieure de physique et de chimie industrielles - PSL.
