A deep equivariant neural network approach for efficient hybrid density functional calculations.
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| Title: | A deep equivariant neural network approach for efficient hybrid density functional calculations. |
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| Authors: | Tang Z; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084, Beijing, China., Li H; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084, Beijing, China.; Institute for Advanced Study, Tsinghua University, 100084, Beijing, China., Lin P; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100190, Beijing, China.; Songshan Lake Materials Laboratory, 523808, Dongguan, Guangdong, China.; Institute of Artificial Intelligence, Hefei Comprehensive National Science Center, 230026, Hefei, Anhui, China., Gong X; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084, Beijing, China.; School of Physics, Peking University, 100871, Beijing, China., Jin G; Key Laboratory of Quantum Information, University of Science and Technology of China, 230026, Hefei, Anhui, China., He L; Institute of Artificial Intelligence, Hefei Comprehensive National Science Center, 230026, Hefei, Anhui, China.; Key Laboratory of Quantum Information, University of Science and Technology of China, 230026, Hefei, Anhui, China., Jiang H; College of Chemistry and Molecular Engineering, Peking University, 100871, Beijing, China., Ren X; Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, 100190, Beijing, China. renxg@iphy.ac.cn.; Songshan Lake Materials Laboratory, 523808, Dongguan, Guangdong, China. renxg@iphy.ac.cn., Duan W; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084, Beijing, China. duanw@tsinghua.edu.cn.; Institute for Advanced Study, Tsinghua University, 100084, Beijing, China. duanw@tsinghua.edu.cn.; Frontier Science Center for Quantum Information, Beijing, China. duanw@tsinghua.edu.cn., Xu Y; State Key Laboratory of Low Dimensional Quantum Physics and Department of Physics, Tsinghua University, 100084, Beijing, China. yongxu@mail.tsinghua.edu.cn.; Frontier Science Center for Quantum Information, Beijing, China. yongxu@mail.tsinghua.edu.cn.; RIKEN Center for Emergent Matter Science (CEMS), Wako, Saitama, 351-0198, Japan. yongxu@mail.tsinghua.edu.cn. |
| Source: | Nature communications [Nat Commun] 2024 Oct 11; Vol. 15 (1), pp. 8815. Date of Electronic Publication: 2024 Oct 11. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE; PubMed not MEDLINE |
| Database: | MEDLINE Ultimate |
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