Predicting Atomistic Transitions with Transformers
用变压器预测原子级转变
机构 * 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) ; Department of Physics and Astronomy, University of Denver(物理与天文学系,丹佛大学) ; 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) ; 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) ; 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)
AI总结 本文利用变压器模型高效预测纳米簇中的原子级转变,通过评估物理有效性并生成多种微态,降低计算成本。
Comments Presented at the 2025 Conference on Data Analysis (CoDA), February 25-28, Santa Fe, New Mexico