Journal of the American Chemical Society

Neural Network Potential with Multiresolution Approach Enables Accurate Prediction of Reaction Free Energies in Solution

F Felix Pultar (Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland) M Moritz Thürlemann (Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland) I Igor Gordiy (Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland) E Eva Doloszeski (Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, Zürich 8093, Switzerland) S Sereina Riniker (Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 2, Zurich 8093, Switzerland)
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Article Details

Volume / Issue Vol. 147, Issue 8
Published February 26, 2025
Pages 6835-6856
ISSN 0002-7863
Publisher American Chemical Society

Journal Info

Journal of the American Chemical Society

American Chemical Society
ISSN: 0002-7863 Physical Sciences

Authors (5)

F

Felix Pultar

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

M

Moritz Thürlemann

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

I

Igor Gordiy

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

E

Eva Doloszeski

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

S

Sereina Riniker

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

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