Supplement Number 1,
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资源简介：
The supplementary material includes additional figures illustrating the accuracy of the NNP energy and force predictions, free energy errors, and convergence behavior, time evolution of key descriptors from unbiased MLMD simulations. It also provides a video: Video S1 showing CO oxidation in the presence of O2 adsorbed on the MgO(FC) surface.
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AIP Publishing创建时间：
2025-11-13
