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Updated: Feb 12, 2026

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超和超原子:可互操作的原子化机器学习的基础库

Filippo Bigi1, Joseph W Abbott1, Philip Loche1

  • 1Laboratory of Computational Science and Modeling, Institute of Materials, École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland.

The Journal of chemical physics
|February 11, 2026
PubMed
概括

新的软件库,元和元原子,桥梁机器学习 (ML) 和原子模拟. 这些工具促进了数据共享和模型可移植性,增强了材料科学模拟中的ML采用.

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