Qiang Zhu
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New developments in evolutionary structure prediction algorithm USPEX
AO Lyakhov, AR Oganov, HT Stokes, Q Zhu
Computer Physics Communications, 2012
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
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
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
Unexpected stable stoichiometries of sodium chlorides
W Zhang, AR Oganov, AF Goncharov, Q Zhu, SE Boulfelfel, AO Lyakhov, ...
Science 342 (6165), 1502-1505, 2013
Structure prediction drives materials discovery
AR Oganov, CJ Pickard, Q Zhu, RJ Needs
Nature Reviews Materials 4 (5), 331-348, 2019
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
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
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
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
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
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
Novel Stable Compounds in the Mg-O System under High Pressure
Q Zhu, AR Oganov, AO Lyakhov
Phys. Chem. Chem. Phys., 2013
Evolutionary method for predicting surface reconstructions with variable stoichiometry
Q Zhu, L Li, AR Oganov, PB Allen
Physical Review B 87 (19), 195317, 2013
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
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
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
The phase diagram and hardness of carbon nitrides
H Dong, AR Oganov, Q Zhu, GR Qian
Scientific reports 5, 9870, 2015
Evolutionary metadynamics: a novel method to predict crystal structures
Q Zhu, AR Oganov, AO Lyakhov
CrystEngComm 14 (10), 3596-3601, 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
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