ATLAS: A real-space finite-difference implementation of orbital-free density functional theory W Mi, X Shao, C Su, Y Zhou, S Zhang, Q Li, H Wang, L Zhang, M Miao, ... Computer Physics Communications 200, 87-95, 2016 | 49 | 2016 |
Construction of crystal structure prototype database: methods and applications C Su, J Lv, Q Li, H Wang, L Zhang, Y Wang, Y Ma Journal of Physics: Condensed Matter 29 (16), 165901, 2017 | 43 | 2017 |
Two-dimensional planar BGe monolayer as an anode material for sodium-ion batteries L Shao, X Duan, Y Li, F Zeng, H Ye, C Su, P Ding ACS Applied Materials & Interfaces 13 (25), 29764-29769, 2021 | 23 | 2021 |
High-throughput computation and structure prototype analysis for two-dimensional ferromagnetic materials ZX Shen, C Su, L He npj Computational Materials 8 (1), 132, 2022 | 19 | 2022 |
Shared metadata for data-centric materials science LM Ghiringhelli, C Baldauf, T Bereau, S Brockhauser, C Carbogno, ... Scientific Data 10 (1), 626, 2023 | 11 | 2023 |
Iron–magnesium compounds under high pressure P Gao, C Su, S Shao, S Wang, P Liu, S Liu, J Lv New Journal of Chemistry 43 (44), 17403-17407, 2019 | 7 | 2019 |
Catenation of carbon in LaC 2 predicted under high pressure C Su, J Zhang, G Liu, X Wang, H Wang, Y Ma Physical Chemistry Chemical Physics 18 (21), 14286-14291, 2016 | 6 | 2016 |
Nanowires exfoliated from one-dimensional van der Waals transition metal trihalides and quadrihalides C Su, L He Nanoscale Advances 5 (7), 2096-2101, 2023 | 1 | 2023 |
Fundamental properties of the MgCl 2 monolayer from first-principles calculations C Men, L Shao, X Li, Y He, H Huo, Y Li, M Li, C Su, H Ye, Y Du New Journal of Chemistry 48 (2), 712-716, 2024 | | 2024 |
A new 2D metallic K3Cl2 nanosheet as a promising candidate of NO2 gas sensor and capturer L Shao, H Huo, S Tian, X Zhao, D Chen, Y Li, C Ma, H Ye, C Su, Y Du Applied Surface Science 604, 154554, 2022 | | 2022 |