An Interpretable Machine Learning Framework for Prediction of Adsorption Energies and Generative Design of Active Sites on Arbitrary Catalysts

Royal Society of Chemistry

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Summary

Faraday Discuss., 2026, Accepted ManuscriptDOI: 10.1039/D5FD00143A, PaperMatthew S. Johnson, Richard Henry West, Judit ZdorWe present a highly interpretable and efficient machine learning framework for predictive and generative modeling of adsorption energie

Source: Royal Society of Chemistry

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