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检索条件"主题词=pole expansion and selected inversion algorithm"
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2.5 Million-Atom Ab Initio Electronic-Structure Simulation of Complex Metallic Heterostructures with DGDFT
2.5 Million-Atom Ab Initio Electronic-Structure Simulation o...
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International Conference for High Performance Computing, Networking, Storage and Analysis (HPC)
作者: Hu, Wei An, Hong Guo, Zhuoqiang Jiang, Qingcai Qin, Xinming Chen, Junshi Jia, Weile Yang, Chao Luo, Zhaolong Li, Jielan Wu, Wentiao Tan, Guangming Jia, Dongning Lu, Qinglin Liu, Fangfang Tian, Min Li, Fang Huang, Yeqi Wang, Liyi Liu, Sha Yang, Jinlong Univ Sci & Technol China Hefei Anhui Peoples R China Pilot Natl Lab Marine Sci & Technol Qingdao Qingdao Peoples R China Chinese Acad Sci Inst Comp Technol Beijing Peoples R China Peking Univ Sch Math Sci Beijing Peoples R China Chinese Acad Sci Inst Software Beijing Peoples R China Shandong Comp Sci Ctr Qilu Univ Technol Jinan Shandong Peoples R China Natl Res Ctr Parallel Comp Engn & Technol Beijing Peoples R China
Over the past three decades, ab initio electronic structure calculations of large, complex and metallic systems are limited to tens of thousands of atoms in computational accuracy and efficiency on leadership supercom... 详细信息
来源: 评论
2.5 million-atom ab initio electronic-structure simulation of complex metallic heterostructures with DGDFT  22
2.5 million-atom ab initio electronic-structure simulation o...
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Proceedings of the International Conference on High Performance Computing, Networking, Storage and Analysis
作者: Wei Hu Hong An Zhuoqiang Guo Qingcai Jiang Xinming Qin Junshi Chen Weile Jia Chao Yang Zhaolong Luo Jielan Li Wentiao Wu Guangming Tan Dongning Jia Qinglin Lu Fangfang Liu Min Tian Fang Li Yeqi Huang Liyi Wang Sha Liu Jinlong Yang University of Science and Technology of China Hefei Anhui China Chinese Academy of Sciences Beijing China Peking University Beijing China Pilot National Laboratory for Marine Science and Technology (Qingdao) China Qilu University of Technology Jinan Shangdong China National Research Center of Parallel Computer Engineering and Technology Beijing China
Over the past three decades, ab initio electronic structure calculations of large, complex and metallic systems are limited to tens of thousands of atoms in computational accuracy and efficiency on leadership supercom... 详细信息
来源: 评论