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Supplementary Material

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posted on 2024-05-23, 11:54 authored by jialin tang, Jiongzhi Zheng, Xiaohan Song, Lin Cheng, Ruiqiang Guo
Figures depicting the evolution of loss function components during training, the cross-plane thermal conductivity of bulk h-BN calculated by the NEP and DFT, and the SED spectra calculated by MD simulations based on the NEP for h-BN at 300 K, and definitions of hyperparameters for the NEP training.

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