Predicting Atomistic Transitions with Transformers
用变压器预测原子级转变
Henry Tischler, Wenting Li, Qi Tang, Danny Perez, Thomas Vogel
机构
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Computing and Artificial Intelligence Division, Los Alamos National Laboratory(计算与人工智能部门,洛斯阿拉莫斯国家实验室)
;
School of Engineering and Computer Science, University of Denver(工程与计算机科学学院,丹佛大学)
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Department of Physics and Astronomy, University of Denver(物理与天文学系,丹佛大学)
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Department of Electrical and Computer Engineering, University of Texas at Austin(电气与计算机工程系,德克萨斯大学奥斯汀分校)
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School of Computational Science and Engineering, Georgia Institute of Technology(计算科学与工程学院,佐治亚理工学院)
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Theoretical Division, Los Alamos National Laboratory(理论部门,洛斯阿拉莫斯国家实验室)
;
X Computational Physics Division, Los Alamos National Laboratory(X计算物理部门,洛斯阿拉莫斯国家实验室)