Figure 1 (IMAGE)

Advanced Institute for Materials Research (AIMR), Tohoku University

Figure 1

Caption

Machine learning potential (MLP) training for surface reconstruction analyses. (a) Workflow for MLP training and large-scale configuration space searching. (b-c) Molecular dynamics (MD) simulations at the nanosecond scale and mesoscopic size for (b) SnO2-x and (c) SnS2-x. Insets show the possible structures with the lowest energy surface screened out by large-scale sampling. Light grey, red, and yellow spheres represent Sn, O, and S, respectively. 

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©Hao Li et al.

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