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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.

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 allowing us to accelerate the discovery process.

Latest News

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Lab

November 29, 2022

First Opentron arrives

On November 29, the first Opentron of the group arrived. Hannes and Rob unpacked it together and set it up in the lab. Stay tuned for more pictures of it in action.

See pictures

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Members

November 15, 2022

Niels joins

On November 15, Niels joined the group as its first Master student. He will work on the automated interpretation of molecule characterization data using artificial intelligence.

See bio

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Members

November 1, 2022

Hannes joins

On November 1, Hannes joined the group as its first PhD student. He will work on data-driven high-troughput optimization of organocatalyzed reactions.

See bio

Social Media

Recent Papers

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Lab Automation

November 14, 2022

A Materials Acceleration Platform for Organic Laser Discovery

T. C. Wu*, A. A. Granda*, K. Hotta, S. A. Yazdani, R. Pollice, J. Vestfrid, H. Hao, C. Lavigne, M. Seifrid, N. Angello, F. Bencheikh, J. E. Hein, M. Burke, C. Adachi, A. Aspuru-Guzik

Adv. Mater. 2022, In Press.

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Reaction Simulation

November 10, 2022

Guided Discovery of Chemical Reaction Pathways with Imposed Activation

C. Lavigne, G. d. P. Gomes*, R. Pollice*, A. Aspuru-Guzik

Chem. Sci. 2022, 13, 13857 - 13871.

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Artificial Design

October 14, 2022

SELFIES and the future of molecular string representations

M. Krenn, Q. Ai, S. Barthel, N. Carson, A. Frei, N. C. Frey, P. Friederich, T. Gaudin, A. A. Gayle, K. M. Jablonka, R. F. Lameiro, D. Lemm, A. Lo, S. M. Moosavi, J. M. Nápoles-Duarte, A. Nigam, R. Pollice, K. Rajan, U. Schatzschneider, P. Schwaller, M. Skreta, B. Smit, F. Strieth-Kalthoff, C. Sun, G. Tom, G. F. von Rudorff, A. Wang, A. White, A. Young, R. Yu, A. Aspuru-Guzik

Patterns 2022, 3, 100588.