Qingshu Dong1, Zhanwen Xu1, Qingliang Song1

  • 1State Key Laboratory of Molecular Engineering of Polymers, Research Center of AI for Polymer Science, Key Laboratory of Computational Physical Sciences, Department of Macromolecular Science, Fudan University, Shanghai 200433, China.

ACS macro letters
|July 23, 2024
PubMed
概括

本研究介绍了一种使用对称性调整的基函数和贝叶斯优化来发现新块共聚合物结构的自动化方法. 该方法有效地预测了复杂和新秩序的安排,扩大了科学探索的结构图书馆.

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