...

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.

...

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

...

July 15, 2024

Members
Group Afternoon Summer 2024

On July 15, just in time before the summer holiday season, the group held its by now already traditional group afternoon in Groningen. We split up in teams to compete in a game of Capture the Flag in the city and enjoyed Italian dinner while discussing the differences between fluid and crystallized intelligence.

See pictures

...

May 1, 2024

Lab
Move to Feringa Building

On May 1, we moved to the Feringa building. It was a lot of work but we made it and we already enjoy the new offices and labs.

See pictures

...

April 1, 2024

Members
Shiquan joins

On April 1, Shiquan joined the group as a Master student. Shiquan will work on inverse design of organocatalysts.

See bio

Social Media

Recent Papers

...

September 19, 2024

Artificial Design
Predicting hydroformylation regioselectivity from literature data via machine learning (Preview)

S. Chen, R. Pollice*

Chem Cat. 2024, 4, 101111.

...

June 4, 2024

Reaction Simulation
The Fe-MAN Challenge: Ferrates–Microkinetic Assessment of Numerical Quantum Chemistry

R. Rahrt, B. Hein-Janke, K. N. Amarasinghe, M. Shafique, M. Feldt, L. Guo, J. N. Harvey, R. Pollice, K. Koszinowski*, R. A. Mata*

J. Phys. Chem. A 2024, 128, 4663.

...

May 20, 2024

Reaction Simulation
Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes

A. Nigam, M. F. D. Hurley, F. Li, E. Konkoĺová, M. Klíma, J. Trylčová, R. Pollice, S. S. Çınaroğlu, R. Levin-Konigsberg, J. Handjaya, M. Schapira, I. Chau, S. Perveen, H.-L. Ng, H. Ü. Kaniskan, Y. Han, S. Singh, C. Gorgulla, A. Kundaje, J. Jin, V. A. Voelz, J. Weber, R. Nencka, E. Boura, M. Vedadi*, A. Aspuru-Guzik*

Digit. Discov. 2024, 3, 1327.