Crystal structure prediction via particle-swarm optimization Y Wang, J Lv, L Zhu, Y Ma Physical Review B—Condensed Matter and Materials Physics 82 (9), 094116, 2010 | 2572 | 2010 |
CALYPSO: A method for crystal structure prediction Y Wang, J Lv, L Zhu, Y Ma Computer Physics Communications 183 (10), 2063-2070, 2012 | 2339 | 2012 |
Predicted novel high-pressure phases of lithium J Lv, Y Wang, L Zhu, Y Ma Physical Review Letters 106 (1), 015503, 2011 | 560 | 2011 |
Particle-swarm structure prediction on clusters J Lv, Y Wang, L Zhu, Y Ma The Journal of chemical physics 137 (8), 2012 | 514 | 2012 |
Substitutional alloy of Bi and Te at high pressure L Zhu, H Wang, Y Wang, J Lv, Y Ma, Q Cui, Y Ma, G Zou Physical Review Letters 106 (14), 145501, 2011 | 430 | 2011 |
Reactions of xenon with iron and nickel are predicted in the Earth's inner core L Zhu, H Liu, CJ Pickard, G Zou, Y Ma Nature chemistry 6 (7), 644-648, 2014 | 411 | 2014 |
An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm Y Wang, M Miao, J Lv, L Zhu, K Yin, H Liu, Y Ma The Journal of chemical physics 137 (22), 2012 | 319 | 2012 |
High pressure partially ionic phase of water ice Y Wang, H Liu, J Lv, L Zhu, H Wang, Y Ma Nature communications 2 (1), 563, 2011 | 227 | 2011 |
B 38: an all-boron fullerene analogue J Lv, Y Wang, L Zhu, Y Ma Nanoscale 6 (20), 11692-11696, 2014 | 176 | 2014 |
Materials discovery via CALYPSO methodology Y Wang, J Lv, L Zhu, S Lu, K Yin, Q Li, H Wang, L Zhang, Y Ma Journal of physics: condensed matter 27 (20), 203203, 2015 | 162 | 2015 |
A fingerprint based metric for measuring similarities of crystalline structures L Zhu, M Amsler, T Fuhrer, B Schaefer, S Faraji, S Rostami, SA Ghasemi, ... The Journal of Chemical Physics 144 (3), 034203, 2016 | 136 | 2016 |
Spiral chain O4 form of dense oxygen L Zhu, Z Wang, Y Wang, G Zou, H Mao, Y Ma Proceedings of the National Academy of Sciences 109 (3), 751-753, 2012 | 115 | 2012 |
Room-temperature structures of solid hydrogen at high pressures H Liu, L Zhu, W Cui, Y Ma The Journal of chemical physics 137 (7), 2012 | 99 | 2012 |
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 |
Carbon-boron clathrates as a new class of sp3-bonded framework materials L Zhu, GM Borstad, H Liu, PA Guńka, M Guerette, JA Dolyniuk, Y Meng, ... Science advances 6 (2), eaay8361, 2020 | 67 | 2020 |
Superhard and superconductive polymorphs of diamond-like BC3 H Liu, Q Li, L Zhu, Y Ma Physics Letters A 375 (3), 771-774, 2011 | 66 | 2011 |
Metallization and superconductivity of BeH2 under high pressure Z Wang, Y Yao, L Zhu, H Liu, T Iitaka, H Wang, Y Ma The Journal of chemical physics 140 (12), 2014 | 54 | 2014 |
Pressure-induced formation of noble metal hydrides G Gao, H Wang, L Zhu, Y Ma The Journal of Physical Chemistry C 116 (2), 1995-2000, 2012 | 53 | 2012 |
Structure and Electronic Properties of Fe2SH3 Compound under High Pressure S Zhang, L Zhu, H Liu, G Yang Inorganic Chemistry 55 (21), 11434-11439, 2016 | 51 | 2016 |
Stabilization of 9/10-fold structure in bismuth selenide at high pressures G Liu, L Zhu, Y Ma, C Lin, J Liu, Y Ma The Journal of Physical Chemistry C 117 (19), 10045-10050, 2013 | 49 | 2013 |