Ab initio investigations of optical properties of the high-pressure phases of ZnOJ Sun, HT Wang, J He, Y Tian
Physical Review B 71 (12), 125132, 2005
512 2005 Dissecting the THz spectrum of liquid water from first principles via correlations in time and space M Heyden, J Sun, S Funkner, G Mathias, H Forbert, M Havenith, D Marx
Proceedings of the National Academy of Sciences 107 (27), 12068-12073, 2010
503 2010 Direct band gap silicon allotropes Q Wang, B Xu, J Sun, H Liu, Z Zhao, D Yu, C Fan, J He
Journal of the American Chemical Society 136 (28), 9826-9829, 2014
194 2014 Direct visualization of a two-dimensional topological insulator in the single-layer ZY Jia, YH Song, XB Li, K Ran, P Lu, HJ Zheng, XY Zhu, ZQ Shi, J Sun, ...
Physical Review B 96 (4), 041108, 2017
187 2017 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
176 2022 First-principles study of electronic structure and optical properties of heterodiamond J Sun, XF Zhou, YX Fan, J Chen, HT Wang, X Guo, J He, Y Tian
Physical Review B 73 (4), 045108, 2006
167 2006 Pressure-induced superconductivity in a three-dimensional topological material ZrTe5 Y Zhou, J Wu, W Ning, N Li, Y Du, X Chen, R Zhang, Z Chi, X Wang, ...
Proceedings of the National Academy of Sciences 113 (11), 2904-2909, 2016
161 2016 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 A novel superhard tungsten nitride predicted by machine-learning accelerated crystal structure search K Xia, H Gao, C Liu, J Yuan, J Sun, HT Wang, D Xing
Science bulletin 63 (13), 817-824, 2018
152 2018 Conical Second Harmonic Generation in a Two-Dimensional P Xu, SH Ji, SN Zhu, XQ Yu, J Sun, HT Wang, JL He, YY Zhu, NB Ming
Physical review letters 93 (13), 133904, 2004
144 2004 High-pressure polymeric phases of carbon dioxide J Sun, DD Klug, R Martoňák, JA Montoya, MS Lee, S Scandolo, E Tosatti
Proceedings of the National Academy of Sciences 106 (15), 6077-6081, 2009
131 2009 Origin of superconductivity in the Weyl semimetal P Lu, JS Kim, J Yang, H Gao, J Wu, D Shao, B Li, D Zhou, J Sun, ...
Physical Review B 94 (22), 224512, 2016
125 2016 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 Understanding THz spectra of aqueous solutions: Glycine in light and heavy water J Sun, G Niehues, H Forbert, D Decka, G Schwaab, D Marx, M Havenith
Journal of the American Chemical Society 136 (13), 5031-5038, 2014
107 2014 Optical properties of heterodiamond J Sun, HT Wang, NB Ming, J He, Y Tian
Applied physics letters 84 (22), 4544-4546, 2004
100 2004 Pressure-stabilized high-energy-density alkaline-earth-metal pentazolate salts K Xia, X Zheng, J Yuan, C Liu, H Gao, Q Wu, J Sun
The Journal of Physical Chemistry C 123 (16), 10205-10211, 2019
95 2019 Pressure-induced new topological Weyl semimetal phase in TaAs Y Zhou, P Lu, Y Du, X Zhu, G Zhang, R Zhang, D Shao, X Chen, X Wang, ...
Physical review letters 117 (14), 146402, 2016
91 2016 Stable all-nitrogen metallic salt at terapascal pressures J Sun, M Martinez-Canales, DD Klug, CJ Pickard, RJ Needs
Physical review letters 111 (17), 175502, 2013
89 2013 Most likely phase of superhard ab initio calculations XF Zhou, J Sun, YX Fan, J Chen, HT Wang, X Guo, J He, Y Tian
Physical Review B 76 (10), 100101, 2007
89 2007 Superconducting single-layer T-graphene and novel synthesis routes Q Gu, D Xing, J Sun
Chinese Physics Letters 36 (9), 097401, 2019
87 2019 