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Updated: Feb 9, 2026

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通过深度学习预测晶体结构

Kevin Ryan1, Jeff Lengyel1, Michael Shatruk1

  • 1Department of Chemistry and Biochemistry , Florida State University , Tallahassee , Florida 32306 , United States.

Journal of the American Chemical Society
|June 7, 2018
PubMed
概括

深度神经网络分析晶体数据以根据它们的原子环境识别元素. 这种机器学习方法有助于预测新的材料组成,指导合成努力.

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