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arXiv · Materials Science· Daniela Mangano (University of Vienna, Faculty of Physics and Center for Computational Materials Science, Vienna, Austria, Department of Physics and Astronomy Augusto Righi, Alma Mater Studiorum - Universit\`a di Bologna, Bologna, Italy), Luca Leoni (Department of Physics and Astronomy Augusto Righi, Alma Mater Studiorum - Universit\`a di Bologna, Bologna, Italy), Zhongfei Xu (College of Environmental Science and Engineering, North China Electric Power University, Beijing, China), Li-Min Liu (School of Physics, Beihang University, Beijing, China), Cesare Franchini (University of Vienna, Faculty of Physics and Center for Computational Materials Science, Vienna, Austria, Department of Physics and Astronomy Augusto Righi, Alma Mater Studiorum - Universit\`a di Bologna, Bologna, Italy)·· 5 小时前

机器学习跳跃轨迹揭示小极化子非绝热动力学

Nonadiabatic polaron dynamics from machine-learned hopping trajectories

arXiv:2610.19842v1阅读论文 PDF ↗

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作者:Daniela Mangano (University of Vienna, Faculty of Physics and Center for Computational Materials Science, Vienna, Austria, Department of Physics and Astronomy Augusto Righi, Alma Mater Studiorum - Universit\`a di Bologna, Bologna, Italy), Luca Leoni (Department of Physics and Astronomy Augusto Righi, Zhongfei Xu (College of Environmental Science and Engineering, North China Electric Power University, Beijing, China), Li-Min Liu (School of Physics, Beihang University, Cesare Franchini (University of Vienna

研究任务与主要进展

研究团队提出结合机器学习辅助极化子动力学与非绝热分子动力学的模拟框架,在纳秒尺度的原子轨迹中研究小极化子跳跃如何影响激发态动力学。

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来源:arXiv · Materials Science · arxiv.org