| New developments in evolutionary structure prediction algorithm USPEX AO Lyakhov, AR Oganov, HT Stokes, Q Zhu Computer Physics Communications, 2012 | 1303 | 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 | 602 | 2016 |
| Phagraphene: a low-energy graphene allotrope composed of 5–6–7 carbon rings with distorted dirac cones Z Wang, XF Zhou, X Zhang, Q Zhu, H Dong, M Zhao, AR Oganov Nano letters 15 (9), 6182-6186, 2015 | 589 | 2015 |
| Semimetallic Two-Dimensional Boron Allotrope with Massless Dirac Fermions XF Zhou, X Dong, AR Oganov, Q Zhu, Y Tian, HT Wang Phys. Rev. Lett. 112, 085502 (2014) 112, 085502, 2013 | 588 | 2013 |
| Structure prediction drives materials discovery AR Oganov, CJ Pickard, Q Zhu, RJ Needs Nature Reviews Materials 4 (5), 331-348, 2019 | 551 | 2019 |
| Unexpected stable stoichiometries of sodium chlorides W Zhang, AR Oganov, AF Goncharov, Q Zhu, SE Boulfelfel, AO Lyakhov, ... Science 342 (6165), 1502-1505, 2013 | 514 | 2013 |
| A stable compound of helium and sodium at high pressure X Dong, AR Oganov, AF Goncharov, E Stavrou, S Lobanov, G Saleh, ... Nature Chemistry 9 (5), 440-445, 2017 | 345 | 2017 |
| Rational design of all organic polymer dielectrics V Sharma, C Wang, RG Lorenzini, R Ma, Q Zhu, DW Sinkovits, G Pilania, ... Nature communications 5 (1), 4845, 2014 | 320 | 2014 |
| Predicting phase behavior of grain boundaries with evolutionary search and machine learning Q Zhu, A Samanta, B Li, RE Rudd, T Frolov Nature communications 9 (1), 467, 2018 | 184 | 2018 |
| Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications Q Zhu, AR Oganov, CW Glass, HT Stokes Acta Crystallographica Section B: Structural Science 68 (3), 215-226, 2012 | 177 | 2012 |
| Denser than diamond: Ab initio search for superdense carbon allotropes Q Zhu, AR Oganov, MA Salvadó, P Pertierra, AO Lyakhov Physical Review B 83 (19), 193410, 2011 | 174 | 2011 |
| Stability of xenon oxides at high pressures Q Zhu, DY Jung, AR Oganov, CW Glass, C Gatti, AO Lyakhov Nature Chemistry 5, 61-65, 2012 | 143 | 2012 |
| Evolutionary method for predicting surface reconstructions with variable stoichiometry Q Zhu, L Li, AR Oganov, PB Allen Physical Review B—Condensed Matter and Materials Physics 87 (19), 195317, 2013 | 136 | 2013 |
| Novel Stable Compounds in the Mg-O System under High Pressure Q Zhu, AR Oganov, AO Lyakhov Phys. Chem. Chem. Phys., 2013 | 130 | 2013 |
| Computation and data driven discovery of topological phononic materials J Li, J Liu, SA Baronett, M Liu, L Wang, R Li, Y Chen, D Li, Q Zhu, ... Nature communications 12 (1), 1204, 2021 | 125 | 2021 |
| Powder diffraction and crystal structure prediction identify four new coumarin polymorphs AG Shtukenberg, Q Zhu, DJ Carter, L Vogt, J Hoja, E Schneider, H Song, ... Chemical Science, 2017 | 123 | 2017 |
| Pressure-induced stabilization and insulator-superconductor transition of BH CH Hu, AR Oganov, Q Zhu, GR Qian, G Frapper, AO Lyakhov, HY Zhou Physical review letters 110 (16), 165504, 2013 | 105 | 2013 |
| Systematic search for low-enthalpy sp^{3} carbon allotropes using evolutionary metadynamics Q Zhu, Q Zeng, AR Oganov Physical Review B 85 (20), 201407, 2012 | 104 | 2012 |
| The third ambient aspirin polymorph AG Shtukenberg, CT Hu, Q Zhu, MU Schmidt, W Xu, M Tan, B Kahr Crystal Growth & Design 17 (6), 3562-3566, 2017 | 97 | 2017 |
| Evolutionary metadynamics: a novel method to predict crystal structures Q Zhu, AR Oganov, AO Lyakhov CrystEngComm 14 (10), 3596-3601, 2012 | 90 | 2012 |
Andriy LyakhovResearch Assistant Professor, Stony Brook University在 stonybrook.edu 的电子邮件经过验证
