Center for Algorithmic and Robotized Synthesis

From Berzelius to Hyperspace: Previously Unrecognized Network of Reactivity in Textbook Brominations

Yankai Jia, Wai-Shing Wong, Yasemin Bilgi-Gadina, Louis P. J.-L. Gadina, King-Lam Kwong, Yanqiu Jiang, Nikolaos Vagkidis, Benito Marazzi, Peter R. Schreiner, Bartosz A. Grzybowski [Angewandte Chemie International Edition e9132891, Early View(2026)]

The Fragility of Bioactivity Prediction: Rigorous Dataset Splits Expose the Illusion of ML Accuracy

Kisung Lee, Galymzhan Moldagulov, Bartosz A. Grzybowski [Chemistry-A European Journal 0:e71208(2026)]

Hyperspace exploration using robotics for the discovery of mechanistically distinct transformations and complex functional products

Daniel Matuszczyk, Rafał Frydrych, Wai-Shing Wong, Yankai Jia, Yaroslav I. Sobolev, Jan Hanus, Juhyeong Lee, Bartosz A. Grzybowski [Nature Synthesis (2026)]

Hyperspace mapping and iterative dimensionality reduction reveal radical cascade networks controlled by perovskite-type catalysts

Yanqiu Jiang, Louis Gadina, Juan Carlos Ahumada, Yankai Jia, Wai-Shing Wong, Jongyeon Kim, Bartosz A. Grzybowski [Chem 12, 102987(2026)]

Hybrid Computational Strategy for Predicting Complex Ligand–Metal Architectures

Galymzhan Moldagulov, Kisung Lee, Sanzhar Nurgaliyev, Assanali Salem, Anatolii Kuznietsov, Bartosz A. Grzybowski [Angewandte Chemie International Edition 65, 14, e24655(2026)]

Function from Confinement: Ligand-Coated Nanoparticles as Functional Materials

Euan R. Kay, Volodymyr Sashuk, Bartosz A. Grzybowski, Fabrizio Mancin, Federico Rastrelli, Verónica Montes-García, Giulio Ragazzon, Paolo Pengo, Lucia Pasquato, Paola Posocco [ACS Nano 20, 1, 59-98(2026)]

Robot-Assisted Reconstruction and Control of the Pechmann Reaction Network

Bibek Prajapati, Dr. Wai-Shing Wong, Rafał Frydrych, Dr. Diana V. Kolygina, Dr. Yankai Jia, Benito Marazzi, Dr. Nikolaos Vagkidis, Prof. Peter R. Schreiner, Prof. Bartosz A. Grzybowski [Angewandte Chemie International Edition 138, e18394(2026)]

Design and Experimental Validation of a Photocatalyst Recommender based on a Large Language Model

Francis Millward, Michał Kulczykowski, Jay Badland-Shaw, Sara Szymkuc, Rajan Suraksha, Aniket Kumar Srivastawa, Violaine Manet, Máire Griffin, Megan Bryden, Thomas Comerford, Lea Hämmerling, Aminata Mariko, Bartosz Grzybowski, Eli Zysman-Colman [Angewandte Chemie - International Edition 65, 4, e14544(2026)]