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Updated: Feb 13, 2026

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化学特征工程和缺陷感知结构指纹对2D材料中复杂缺陷的表示.

Cheewawut Na Talang1, Aniwat Kesorn1, Chanaprom Cholsuk2,3

  • 1Optical and Quantum Physics Laboratory, Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400, Thailand.

Journal of chemical information and modeling
|February 12, 2026
PubMed
概括

我们开发了新的化学和结构特征,以更好地表示2D材料中的缺陷. 这种方法提高了模型的解释性和概括性,用于预测缺陷形成能量,为深度学习提供了有效的替代方案.

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