Skip to main content
. 2021 Sep 15;12(43):14396–14413. doi: 10.1039/d1sc03564a

Fig. 10. Flowchart for a data-oriented selection of the “right” machine learning potential in terms of both accuracy and efficiency. The proposed flowchart considers the trade-off between accuracy and computational cost related to the application of potentials in different scenarios. The solid lines indicate the generally preferable potentials, while dashed lines indicate secondary options that could still be explored in more specific applications.

Fig. 10