| GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations Z Fan, Y Wang, P Ying, K Song, J Wang, Y Wang, Z Zeng, K Xu, ... The Journal of Chemical Physics 157 (11), 2022 | 175 | 2022 |
| Proton-assisted growth of ultra-flat graphene films G Yuan, D Lin, Y Wang, X Huang, W Chen, X Xie, J Zong, QQ Yuan, ... Nature 577 (7789), 204-208, 2020 | 159 | 2020 |
| Multiple superionic states in helium–water compounds C Liu, H Gao, Y Wang, RJ Needs, CJ Pickard, J Sun, HT Wang, D Xing Nature Physics 15 (10), 1065-1070, 2019 | 121 | 2019 |
| Plastic and superionic helium ammonia compounds under high pressure and high temperature C Liu, H Gao, A Hermann, Y Wang, M Miao, CJ Pickard, RJ Needs, ... Physical Review X 10 (2), 021007, 2020 | 81 | 2020 |
| MAGUS: machine learning and graph theory assisted universal structure searcher J Wang, H Gao, Y Han, C Ding, S Pan, Y Wang, Q Jia, HT Wang, D Xing, ... National Science Review 10 (7), nwad128, 2023 | 45 | 2023 |
| Pressure stabilized lithium-aluminum compounds with both superconducting and superionic behaviors X Wang, Y Wang, J Wang, S Pan, Q Lu, HT Wang, D Xing, J Sun Physical Review Letters 129 (24), 246403, 2022 | 41 | 2022 |
| Electronically driven 1D cooperative diffusion in a simple cubic crystal Y Wang, J Wang, A Hermann, C Liu, H Gao, E Tosatti, HT Wang, D Xing, ... Physical Review X 11 (1), 011006, 2021 | 36 | 2021 |
| General-purpose machine-learned potential for 16 elemental metals and their alloys K Song, R Zhao, J Liu, Y Wang, E Lindgren, Y Wang, S Chen, K Xu, ... Nature Communications 15 (1), 10208, 2024 | 21 | 2024 |
| Double-Shock Compression Pathways from Diamond to BC8 Carbon J Shi, Z Liang, J Wang, S Pan, C Ding, Y Wang, HT Wang, D Xing, J Sun Physical review letters 131 (14), 146101, 2023 | 17 | 2023 |
| Collective motion in hcp-Fe at Earth’s inner core conditions Y Zhang, Y Wang, Y Huang, J Wang, Z Liang, L Hao, Z Gao, J Li, Q Wu, ... Proceedings of the National Academy of Sciences 120 (41), e2309952120, 2023 | 12 | 2023 |
| E (n)-Equivariant cartesian tensor message passing interatomic potential J Wang, Y Wang, H Zhang, Z Yang, Z Liang, J Shi, HT Wang, D Xing, ... Nature Communications 15 (1), 7607, 2024 | 9 | 2024 |
| Temperature-induced electride transition in dense lithium Y Wang, J Wang, A Hermann, S Pan, J Shi, HT Wang, D Xing, J Sun Physical Review B 105 (21), 214101, 2022 | 7 | 2022 |
| Shock compression pathways to pyrite silica from machine learning simulations S Pan, J Shi, Z Liang, C Liu, J Wang, Y Wang, HT Wang, D Xing, J Sun Physical Review B 110 (22), 224101, 2024 | 1 | 2024 |