Scientific centers

Center for Intelligent Catalysis

Historically, catalysts have been discovered by inspired serendipity or identified through large-scale screens – yet, inspiration is rare and screening is laborious and cost-intensive.

To meet the demands of green and sustainable chemistry of the future, catalyst discovery needs to become more rapid and intelligent: We urgently need better catalysts to capture CO2, to functionalize hydrocarbons, or to convert industrial waste into valuables, closing the loop of circular chemistry.

Our Center addresses these challenges by combining insights into catalytic mechanisms with the state-of-the-art tools of artificial intelligence, AI. We are uniquely positioned to harness this synergy based on our game-changing contributions to chemical AI. With the curated, high-quality datasets on which our AI models are built, we are posed to:

  • Accelerate catalyst design and optimization 10x -100x
  • Lower the cost of catalyst discovery 100x
  • Evaluate candidate reactions at unprecedented speeds 1000x

As part of our mission, we are building an innovative ecosystem for Polish chemical industry and beyond. Together with our academic, industrial and Government partners, we are advancing Poland’s “Intelligent Development” program by fostering intelligent molecular manufacturing.

We are the Center for Intelligent Catalysis.

B. Mikulak-Klucznik, P. Gołębiowska, A. A. Bayly, O. Popik, T. Klucznik, S. Szymkuć, E. P. Gajewska, P. Dittwald, O. Staszewska-Krajewska, W. Beker, T. Badowski, K. A. Scheidt, K. Molga, J. Mlynarski, M. Mrksich, B. A. Grzybowski,“Computational planning of the synthesis of complex natural products”, Nature, 2020


A. Wołos, R. Roszak, A. Żądło-Dobrowolska,W. Beker, B. Mikulak-Klucznik, G. Spólnik, M. Dygas, S. Szymkuć, B. A. Grzybowski, “Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry”, Science, 2020

I. Węglarz, K. Michalak, J. Mlynarski, “Zinc‐Catalyzed Asymmetric Hydrosilylation of Cyclic Imines: Synthesis of Chiral 2‐Aryl‐Substituted Pyrrolidines as Pharmaceutical Building Blocks”, Adv. Synth, Catal., 2021

A. Kajetanowicz, K. Grela, “Nitro and Other Electron Withdrawing Group Activated Ruthenium Catalysts for Olefin Metathesis Reactions”, Angew. Chem. Int. Ed., 2020

M. Ociepa, A. J. Wierzba, J. Turkowska, D. Gryko, “Polarity-Reversal Strategy for the Functionalization of Electrophilic Strained Molecules via Light-Driven Cobalt Catalysis”, J. Am. Chem. Soc., 2020

Functional dyes center