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预测无机晶体材料的合成配方,使用元素式模板配方

Seongmin Kim1, Juhwan Noh1, Geun Ho Gu2

  • 1Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology (KAIST) 291, Daehak-ro, Yuseong-gu Daejeon 34141 South Korea.

Chemical science
|January 19, 2024
PubMed
概括

这项研究引入了一个元素智能图形神经网络来预测无机合成配方,提高准确性和优先预测更快的材料设计.

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