Hefei National Laboratory for Physical Sciences at the Microscale, Department of Chemical Physics, and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, 230026, China; School of Computer Science and Technology, University of Science and Technology of China, Hefei, 230026, China; Department of Mathematics, University of California, Berkeley, CA 94720, United States; National Supercomputing Center, Wuxi, 214072, China; Institute of Software, Chinese Academy of Sciences, Beijing, 100190, China
Recommended Citation:
Hu W.,Qin X.,Jiang Q.,et al. High performance computing of DGDFT for tens of thousands of atoms using millions of cores on Sunway TaihuLight[J]. Science Bulletin,2021-01-01,66(2)