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    Machine learning potentials for metal-organic frameworks using an incremental learning approach

    Machine learning potentials for metal-organic frameworks using an incremental learning approach by Sander Vandenhaute, Maarten Cools-Ceuppens, Simon DeKeyser, Toon Verstraelen, Veronique Van Speybroeck

    Published 2023-02-01
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  2. 2
    Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

    Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics by Massimo Bocus, Ruben Goeminne, Aran Lamaire, Maarten Cools-Ceuppens, Toon Verstraelen, Veronique Van Speybroeck

    Published 2023-02-01
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