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Yizhe Chen1, Shomik Verma2, Kevin P Greenman3,4,5

  • 1Department of Chemical Engineering, State Key Laboratory of Chemical Engineering and Low-carbon Technology, Tsinghua University Beijing 100084 China wangxiaonan@tsinghua.edu.cn.

Chemical science
|November 21, 2025
PubMed
概括

这项研究引入了一个积极的学习框架,以加速发现太阳能高性能光敏化剂. 它结合了量子计算和机器学习,有效地选分子,克服了数据稀缺性和计算限制.

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