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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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AI: a revolution for chemistry?
Long based on experimentation and modelling, chemistry is now undergoing a major transformation with the rise of artificial intelligence.Laboratory automation, reaction simulation, and the generation of new molecules: these tools are redefining research methods.In this webinar, the ChemAI Major Programme sheds light on these transformations and their scientific implications.
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.
