Journal of the American Chemical Society

Boosting Computational Catalysis and Chemical Reactivity with Artificial Intelligence

K Konstantinos D. Vogiatzis (Department of Chemistry) C Clémence Corminboeuf (Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering) A Ainara Nova (Center for Materials Science and Nanotechnology (SMN), Department of Chemistry) K Kjell Jorner (Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, Zurich 8093, Switzerland) J Johannes Kästner (Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, Stuttgart 70569, Germany) M Markus Meuwly (Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland) P Philippe Schwaller V Victor Böttcher (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland) M Maria Drosou (Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany) E Edvin Fako (Laboratory of Artificial Chemical Intelligence) H Hannes Hoppe (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland) Z Zarko Ivkovic (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland) N Nestor Iwanojko (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland) D Dimitrios A. Pantazis (Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany) S Stefan P. Schmid (Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, Zurich 8093, Switzerland) K Kalman Szenes (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland) A Auguste Tetenoire (Laboratory of Computational Chemistry and Biochemistry) M Markus Reiher (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland)
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Article Details

Volume / Issue Vol. 148, Issue 9
Published March 11, 2026
Pages 9143-9155
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society
ISSN: 0002-7863 Physical Sciences

Authors (18)

K

Konstantinos D. Vogiatzis

Department of Chemistry

C

Clémence Corminboeuf

Laboratory for Computational Molecular Design, Institute of Chemical Sciences and Engineering

A

Ainara Nova

Center for Materials Science and Nanotechnology (SMN), Department of Chemistry

K

Kjell Jorner

Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, Zurich 8093, Switzerland

J

Johannes Kästner

Institute for Theoretical Chemistry, University of Stuttgart, Pfaffenwaldring 55, Stuttgart 70569, Germany

M

Markus Meuwly

Department of Chemistry, University of Basel, Klingelbergstrasse 80, Basel 4056, Switzerland

P

Philippe Schwaller

V

Victor Böttcher

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

M

Maria Drosou

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany

E

Edvin Fako

Laboratory of Artificial Chemical Intelligence

H

Hannes Hoppe

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

Z

Zarko Ivkovic

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

N

Nestor Iwanojko

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

D

Dimitrios A. Pantazis

Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany

S

Stefan P. Schmid

Institute of Chemical and Bioengineering, Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 1, Zurich 8093, Switzerland

K

Kalman Szenes

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

A

Auguste Tetenoire

Laboratory of Computational Chemistry and Biochemistry

M

Markus Reiher

Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland

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