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Updated: Jan 14, 2026

Rapid in-silico Battery Electrolyte Electrochemical Reaction Generation using 3T-VASP Multi-Scale Energy Minimization
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斯拉科网:一个统一的Slater-Koster紧密结合框架,使用周期表的神经网络基础设施

Kamal Choudhary1,2

  • 1Department of Materials Science and Engineering, Whiting School of Engineering, The Johns Hopkins University, Baltimore, Maryland 21218, United States.

The journal of physical chemistry letters
|October 17, 2025
PubMed
概括

斯拉科网有效地使用学习的斯莱特-科斯特形式主义预测电子带结构. 这种框架提高了比传统方法更准确的准确性,并使快速的材料发现成为可能.

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