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posted on 2024-11-20, 13:12authored byIryna Zaporozhets, Felix Musil, Venkat Kapil, Cecilia Clementi
Section I of the supplementary material details the Morse potential (I.A) and ML model used for a particle in Morse potential (I.B). Section II contains the simulation parameters used to generate the training data. Section III provides the derivation of coordinate rescaling. Section IV presents extended results for a water molecule.