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journal contribution
posted on 2025-07-30, 12:07 authored by Marius Nielsen, Luuk Kempen, Julie de Neergaard Ravn, Raffaele Cheula, Mie Andersen
Further details on the used features and binding energy models as well as a comparison to results obtained using the foundational pre-trained models CHGNet and MACE-MP-0a.

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    Journal of Chemical Physics

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    Inverse catalystBinding energyMAchine learning

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