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    Neural network potentials for exploring condensed phase chemical reactivity

    Neural network potentials for exploring condensed phase chemical reactivity by Gomez, Axel, de la Puente, Miguel, David, Rolf, Laage, Damien

    Published 2024-06-01

    Recent advances in machine learning offer powerful tools for exploring complex reaction mechanisms in condensed phases via reactive simulations. In this tutorial review, we describe the key challenges associated with simulating reactions in condensed phases, we introduce neural network potentials an...

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