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在有限温度下进行大规模电子模拟的深度学习紧密结合方法,具有初始准确性

Qiangqiang Gu1,2, Zhanghao Zhouyin3,4, Shishir Kumar Pandey3,5

  • 1AI for Science Institute, 100080, Beijing, China. guqq@aisi.ac.cn.

Nature communications
|August 8, 2024
PubMed
概括

深度学习紧密结合方法DeepPTB为大规模电子模拟提供了初始精度. 这种方法通过预测各种条件下的电子性质,使高效的材料设计和半导体带隙工程成为可能.

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Electrostatic Boundary Conditions in Dielectrics01:27

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When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
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