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机器学习绘图方法用于计算旋转放松动力学

Mohammad Shakiba1, Adam B Philips1, Jochen Autschbach1

  • 1Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States.

The journal of physical chemistry letters
|December 21, 2024
PubMed
概括

本研究介绍了一种机器学习方法,用于预测原子系统属性. 它使用比传统计算更少的数据准确预测电场梯度和旋转放松率.

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