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Supplementary material

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posted on 2025-05-06, 12:04 authored by Alea Tokita, Timothée Devergne, Antonino Saitta, Jörg Behler
The supplementary material contains detailed information of settings used for the construction of the HDNNPs and additional information and insights of the active learning process.

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    Journal of Chemical Physics

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    High-dimensional neural network potentialsMolecular dynamicsActive learningMachine learning potentialsFree energy profile

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