발행물

전체 논문

50

1

Catalyst: Curtailing the scalable supply of fentanyl by using chemical AI
Barbara Mikulak-Klucznik, Tomasz Klucznik, Wiktor Beker, Martyna Moskal, Bartosz A. Grzybowski
Chem, 2024

2

Computational synthesis design for controlled degradation and revalorization
Anna Zadlo-Dobrowolska, Karol Molga, Olga O. Kolodiazhna, Sara Szymkuc, Martyna Moskal, Rafal Roszak, Bartosz A Grzybowski
Nature Synthesis, 2024

3

Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge
Felix Strieth-Kalthoff, Sara Szymkuc, Karol Molga, Alan Aspuru-Guzik, Frank Glorius, Bartosz A. Grzybowski
J. Am. Chem. Soc., 2024

4

Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks
Rafal Roszak, Agnieszka Wolos, Marcin Benke, Lukasz Glen, Jakub Konka, Phillip Jensen, Pawel Burgchardt, Anna Zadlo-Dobrowolska, Piotr Janiuk, Sara Szymkuc, Bartosz A Grzybowski
Chem, 2024

5

Accelerated Chemical Science with AI
S. Back, A. Aspuru-Guzik, M. Ceriotti, G. Gryn'ova, B. A. Grzybowski, G. H. Gu, J. E. Hein, K. Hippalgaonkar, R. Hormazabal, Y. Jung, S. Kim, W. Y. Kim, M. Moosavi, J. Noh, C. Park, J. Schrier, P. Schwaller, K. Tsuda, T. Vegge, A. von Lilienfeld, A. Walsh
Digital Discovery, 2024

6

Computational prediction of complex cationic rearrangement outcomes
Tomasz Klucznik, Leonidas-Dimitrios Syntrivanis, Sebastian Bas, Barbara Mikulak-Klucznik, Martyna Moskal, Sara Szymkuc, Jacek Mlynarski, Louis Gadina, Wiktor Beker, Martin D. Burke, Konrad Tiefenbacher, Bartosz A. Grzybowski
Nature, 2024

7

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
Nat. Mater., 2024

8

Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Felix Strieth-Kalthoff, Han Hao, Vandana Rathore, Chihaya Adachi, Bartosz A Grzybowski, Leroy Cronin, Jason E Hein, Martin D Burke, Alan Aspuru-Guzik
Science, 2024

9

Solid-body trajectoids shaped to roll along desired pathways
Yaroslav I. Sobolev, Ruoyu Dong, Tsvi Tlusty, Jean-Pierre Eckmann, Steve Granick, Bartosz A. Grzybowski
Nature, 2023

10

One-Pot, Three-Phase Recycling of Metals from Li-Ion Batteries in Rotating, Concentric-Liquid Reactors
Cristobal Quintana, Olgierd Cybulski, Barbara Mikulak-Klucznik, Tomasz Klucznik, Bartosz A. Grzybowski
Adv. Mat., 2023