Predicting the thermodynamic stability of solids combining density functional theory and machine learning J Schmidt, J Shi, P Borlido, L Chen, S Botti, MAL Marques Chemistry of Materials 29 (12), 5090-5103, 2017 | 316 | 2017 |
Route to high- superconductivity via -intercalated hydride perovskites W Cui, T Bi, J Shi, Y Li, H Liu, E Zurek, RJ Hemley Physical Review B 101 (13), 134504, 2020 | 124 | 2020 |
Effect of covalent bonding on the superconducting critical temperature of the HS-Se system B Liu, W Cui, J Shi, L Zhu, J Chen, S Lin, R Su, J Ma, K Yang, M Xu, J Hao, ... Physical Review B 98 (17), 174101, 2018 | 81 | 2018 |
High-throughput search of ternary chalcogenides for p-type transparent electrodes J Shi, TFT Cerqueira, W Cui, F Nogueira, S Botti, MAL Marques Scientific reports 7 (1), 43179, 2017 | 74 | 2017 |
Formation of ammonia–helium compounds at high pressure J Shi, W Cui, J Hao, M Xu, X Wang, Y Li Nature Communications 11 (1), 3164, 2020 | 53 | 2020 |
The intrinsic magnetism, quantum anomalous Hall effect and Curie temperature in 2D transition metal trihalides J Sun, X Zhong, W Cui, J Shi, J Hao, M Xu, Y Li Physical Chemistry Chemical Physics 22 (4), 2429-2436, 2020 | 51 | 2020 |
Hydrogen segregation and its roles in structural stability and metallization: silane under pressure W Cui, J Shi, H Liu, Y Yao, H Wang, T Iitaka, Y Ma Scientific reports 5 (1), 13039, 2015 | 23 | 2015 |
Superconducting hydrogen tubes in hafnium hydrides at high pressure K Gao, W Cui, J Chen, Q Wang, J Hao, J Shi, C Liu, S Botti, MAL Marques, ... Physical Review B 104 (21), 214511, 2021 | 21 | 2021 |
Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction J Shi, W Cui, S Botti, MAL Marques Physical Review Materials 2 (2), 023604, 2018 | 21 | 2018 |
Prediction and synthesis of a non-Zintl silicon clathrate TFT Cerqueira, S Pailhes, R Debord, VM Giordano, R Viennois, J Shi, ... Chemistry of Materials 28 (11), 3711-3717, 2016 | 21 | 2016 |
Computational design of novel hydrogen-rich YS–H compounds J Chen, W Cui, J Shi, M Xu, J Hao, AP Durajski, Y Li ACS omega 4 (10), 14317-14323, 2019 | 18 | 2019 |
Pressure-stabilized superconducting electride Q Wang, W Cui, K Gao, J Chen, T Gu, M Liu, J Hao, J Shi, Y Li Physical Review B 106 (5), 054519, 2022 | 17 | 2022 |
Hidden porous boron nitride as a high-efficiency membrane for hydrogen purification S Lin, M Xu, Z Qu, Y Liang, Y Li, W Cui, J Shi, Q Zeng, J Hao, Y Li Physical Chemistry Chemical Physics 22 (39), 22778-22784, 2020 | 17 | 2020 |
Investigation of new phases in the Ba–Si phase diagram under high pressure using ab initio structural search J Shi, W Cui, JA Flores-Livas, A San-Miguel, S Botti, MAL Marques Physical Chemistry Chemical Physics 18 (11), 8108-8114, 2016 | 17 | 2016 |
Prediction of superhard B 2 N 3 with two-dimensional metallicity S Lin, M Xu, J Hao, X Wang, M Wu, J Shi, W Cui, D Liu, W Lei, Y Li Journal of Materials Chemistry C 7 (15), 4527-4532, 2019 | 15 | 2019 |
Prediction of strain-induced phonon-mediated superconductivity in monolayer YS Z Qu, S Lin, M Xu, J Hao, J Shi, W Cui, Y Li Journal of Materials Chemistry C 7 (36), 11184-11190, 2019 | 11 | 2019 |
Halogen molecular modifications at high pressure: the case of iodine J Shi, E Fonda, S Botti, MAL Marques, T Shinmei, T Irifune, AM Flank, ... Physical Chemistry Chemical Physics 23 (5), 3321-3326, 2021 | 10 | 2021 |
Superior carbon nanotube stability by molecular filling: a single-chirality study at extreme pressures C Bousige, A Stolz, SD Silva-Santos, J Shi, W Cui, C Nie, MAL Marques, ... Carbon 183, 884-892, 2021 | 9 | 2021 |
Prediction of high- superconductivity in ternary actinium beryllium hydrides at low pressure K Gao, W Cui, J Shi, AP Durajski, J Hao, S Botti, MAL Marques, Y Li Physical Review B 109 (1), 014501, 2024 | 8 | 2024 |
Metal-element-incorporation induced superconducting hydrogen clathrate structure at high pressure J Ma, J Kuang, W Cui, J Chen, K Gao, J Hao, J Shi, Y Li Chinese Physics Letters 38 (2), 027401, 2021 | 8 | 2021 |