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 | 2585 | 2010 |
CALYPSO: A method for crystal structure prediction Y Wang, J Lv, L Zhu, Y Ma Computer Physics Communications 183 (10), 2063-2070, 2012 | 2360 | 2012 |
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 600 | 2016 |
Materials discovery at high pressures L Zhang, Y Wang, J Lv, Y Ma Nature Reviews Materials 2 (4), 1-16, 2017 | 571 | 2017 |
Predicted novel high-pressure phases of lithium J Lv, Y Wang, L Zhu, Y Ma Physical Review Letters 106 (1), 015503, 2011 | 561 | 2011 |
Particle-swarm structure prediction on clusters J Lv, Y Wang, L Zhu, Y Ma The Journal of chemical physics 137 (8), 2012 | 521 | 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 | 431 | 2011 |
Route to a superconducting phase above room temperature in electron-doped hydride compounds under high pressure Y Sun, J Lv, Y Xie, H Liu, Y Ma Physical review letters 123 (9), 097001, 2019 | 403 | 2019 |
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 |
First-principles structural design of superhard materials X Zhang, Y Wang, J Lv, C Zhu, Q Li, M Zhang, Q Li, Y Ma The Journal of chemical physics 138 (11), 2013 | 250 | 2013 |
Interface structure prediction via CALYPSO method B Gao, P Gao, S Lu, J Lv, Y Wang, Y Ma Science Bulletin 64 (5), 301-309, 2019 | 249 | 2019 |
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 |
Cagelike diamondoid nitrogen at high pressures X Wang, Y Wang, M Miao, X Zhong, J Lv, T Cui, J Li, L Chen, CJ Pickard, ... Physical review letters 109 (17), 175502, 2012 | 220 | 2012 |
B 38: an all-boron fullerene analogue J Lv, Y Wang, L Zhu, Y Ma Nanoscale 6 (20), 11692-11696, 2014 | 178 | 2014 |
CALYPSO structure prediction method and its wide application H Wang, Y Wang, J Lv, Q Li, L Zhang, Y Ma Computational Materials Science 112, 406-415, 2016 | 164 | 2016 |
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 |
Functionality-directed screening of Pb-free hybrid organic–inorganic perovskites with desired intrinsic photovoltaic functionalities D Yang, J Lv, X Zhao, Q Xu, Y Fu, Y Zhan, A Zunger, L Zhang Chemistry of Materials 29 (2), 524-538, 2017 | 156 | 2017 |
Perovskite solar absorbers: materials by design Q Xu, D Yang, J Lv, YY Sun, L Zhang Small Methods 2 (5), 1700316, 2018 | 117 | 2018 |
Accelerating CALYPSO structure prediction by data-driven learning of a potential energy surface Q Tong, L Xue, J Lv, Y Wang, Y Ma Faraday discussions 211, 31-43, 2018 | 94 | 2018 |
Stabilization of fullerene-like boron cages by transition metal encapsulation J Lv, Y Wang, L Zhang, H Lin, J Zhao, Y Ma Nanoscale 7 (23), 10482-10489, 2015 | 91 | 2015 |