Center for Algorithmic and Robotized Synthesis

Computational synthesis design for controlled degradation and revalorization

Anna Żądło-Dobrowolska, Karol Molga, Olga O. Kolodiazhna, Sara Szymkuć, Martyna Moskal, Rafał Roszak, Bartosz A. Grzybowski. [Nature Synthesis. (2024)]

Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks

Rafał Roszak, Agnieszka Wołos, Marcin Benke, Łukasz Gleń, Jakub Konka, Phillip Jensen, Paweł Burgchardt, Anna Żądło-Dobrowolska, Piotr Janiuk, Sara Szymkuć, Bartosz A. Grzybowski. [Chem. 10, 3, 952-970(2024)]

Accelerated chemical science with AI

Seoin Back, Alán Aspuru-Guzik, Michele Ceriotti, Ganna Gryn`ova, Bartosz Grzybowski, Geun Ho Gu, Jason Hein, Kedar Hippalgaonkar, Rodrigo Hormázabal, Yousung Jung, Seonah Kim, Woo Youn Kim, Seyed Mohamad Moosavi, Juhwan Noh, Changyoung Park, Joshua Schrier, Philippe Schwaller, Koji Tsuda, Tejs Vegge, O. Anatole von Lilienfeld, Aron Walsh. [Digital Discovery. 3, 23-33(2023)]

Computational prediction of complex cationic rearrangement outcomes

Tomasz Klucznik, Leonidas-Dimitrios Syntrivanis, Sebastian Baś, Barbara Mikulak-Klucznik, Martyna Moskal, Sara Szymkuć, Jacek Mlynarski, Louis Gadina, Wiktor Beker, Martin D. Burke, Konrad Tiefenbacher, Bartosz A. Grzybowski. [Nature. 625, 508-515(2023)]

Active learning guides discovery of a champion four-metal perovskite oxide for oxygen evolution electrocatalysis

Junseok Moon, Wiktor Beker, Marta Siek, Jiheon Kim, Hyeon Seok Lee, Taeghwan Hyeon, Bartosz A. Grzybowski. [Nature Materials. 23, 108-115(2023)]

AlphaFold2 can predict single-mutation effects

John M. McBride, Konstantin Polev, Amirbek Abdirasulov, Vladimir Reinharz, Bartosz A. Grzybowski, Tsvi Tlusty. [Physical Review Letters. 131, 21841(2023)]

Convergent evolution in a large cross-cultural database of musical scales

John M. McBride, Sam Passmore, Tsvi Tlusty. [PLoS ONE. 18(12), e0284851(2023)]

Gene birth in a model of non-genic adaptation

Somya Mani, Tsvi Tlusty. [BMC Biology. 21, 257(2023)]