Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy

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2020_Understanding_the_ML_black_box_with_simple_descriptors_to_predict_cluster–adsorbate_interaction_energy.pdf (4.42 MB)

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2023-01-02

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Royal Society of Chemistry

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Artificial Intelligence, Quantum Chemistry, Density Functional Theory

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New J. Chem., 2020, 44, 8545

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http://dspace.ncl.res.in:8080/xmlui/handle/20.500.12252/6186

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