AIP Publishing
Browse

Supplemental Information

Download (1.11 MB)
Version 4 2024-11-20, 13:12
Version 3 2024-11-20, 13:04
Version 2 2024-10-30, 18:26
Version 1 2024-10-01, 12:05
figure
posted on 2024-11-20, 13:12 authored by Iryna 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.

History

Usage metrics

    Journal of Chemical Physics

    Licence

    Exports

    RefWorks
    BibTeX
    Ref. manager
    Endnote
    DataCite
    NLM
    DC