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Supervised learning of a chemistry functional with damped dispersion
Author: Liu, Yiwei; Zhang, Cheng; Liu, Zhonghua; Truhlar, Donald G.; Wang, Ying; He, Xiao
Journal: NATURE COMPUTATIONAL SCIENCE. 2023; Vol. 3, Issue 1, pp. 48-58. DOI: 10.1038/s43588-022-00371-5
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Dimensionality reduction of calcium-imaged neuronal population activity
Author: Koh, Tze Hui; Bishop, William E.; Kawashima, Takashi; Jeon, Brian B.; Srinivasan, Ranjani; Mu, Yu; Wei, Ziqiang; Kuhlman, Sandra J.; Ahrens, Misha B.; Chase, Steven M.; Yu, Byron M.
Journal: NATURE COMPUTATIONAL SCIENCE. 2023; Vol. 3, Issue 1, pp. 71-85. DOI: 10.1038/s43588-022-00390-2
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Defect modeling and control in structurally and compositionally complex materials
Author: Zhang, Xie; Kang, Jun; Wei, Su-Huai
Journal: NATURE COMPUTATIONAL SCIENCE. 2023; Vol. 3, Issue 3, pp. 210-220. DOI: 10.1038/s43588-023-00403-8
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Moire magnetic exchange interactions in twisted magnets
Author: Yang, Baishun; Li, Yang; Xiang, Hongjun; Lin, Haiqing; Huang, Bing
Journal: NATURE COMPUTATIONAL SCIENCE. 2023; Vol. 3, Issue 4, pp. 314-+. DOI: 10.1038/s43588-023-00430-5
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Deep-learning electronic-structure calculation of magnetic superstructures
Author: Li, He; Tang, Zechen; Gong, Xiaoxun; Zou, Nianlong; Duan, Wenhui; Xu, Yong
Journal: NATURE COMPUTATIONAL SCIENCE. 2023; Vol. 3, Issue 4, pp. 321-+. DOI: 10.1038/s43588-023-00424-3