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Artificial Organic Chemistry Lab

Molecular catalysts and chemical reactions designed by artificial intelligence with the help of simulations, realized and tested utilizing automated lab protocols.

Our Team

The Pollice Research Group is committed to create an inclusive research environment where members feel safe and respected. We believe that diversity is an intrinsic and important part of the academic community and, therefore, we appreciate differences in backgrounds, experiences and perspectives, and facilitate them to help everyone in our team to reach their full potential in both scientific and non-scientific matters.

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Our Research

Our research interests rest on four main pillars. Our primary target is the design of molecular catalysts for organic reactions with the help of computers. To realize that, we combine the simulation of chemical reactions with lab automation for high-throughput experiments and artificial molecular design algorithms. This allows us to incorporate data-driven algorithms directly into our workflow enabling us to accelerate the discovery process.

Latest News

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October 1, 2025

Members
Michael joins

On October 1, Michael joined the group as a PhD student. Michael will work on data-driven optimization of stereoselective catalysts.

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September 30, 2025

Members
Moritz visited

On September 30, Moritz, who just funished high school, left the group after a 1-month research internship. This was supported by the Austrian Chemistry Olympiad community and the Professional Association of the Chemical Industry in Austria.

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August 6, 2025

Members
Daan leaves

On August 6, Daan finished his master thesis and left the group. We will miss his machine learning and coding skills.

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Discord Server

Do you want to discuss ongoing research with us? Do you have a question about one of our publications? Do you want to learn more about open positions? Join our Discord server and engage with us directly!

Join us on Discord

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Social Media

Recent Papers

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June 9, 2025

Artificial Design
Studying Noncovalent Interactions in Molecular Systems with Machine Learning

S. Tretiakov*, A. Nigam, R. Pollice*

Chem. Rev. 2025, 125, 5776.

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February 5, 2025

Artificial Design
Developing Large Language Models for Quantum Chemistry Simulation Input Generation

P. F. Jacobs, R. Pollice*

Digit. Discov. 2025, 4, 762.

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December 24, 2024

Molecular Catalysis
Case studies of dimensionality in chemical data

A. Blokhuis*, R. Pollice*

Eur. J. Org. Chem. 2024, e202400949.