Crystal structure prediction using ab initio evolutionary techniques: Principles and applications AR Oganov, CW Glass The Journal of chemical physics 124 (24), 2006 | 2617 | 2006 |
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs AJ Mannix, XF Zhou, B Kiraly, JD Wood, D Alducin, BD Myers, X Liu, ... Science 350 (6267), 1513-1516, 2015 | 2399 | 2015 |
New developments in evolutionary structure prediction algorithm USPEX AO Lyakhov, AR Oganov, HT Stokes, Q Zhu Computer Physics Communications 184 (4), 1172-1182, 2013 | 1283 | 2013 |
USPEX—Evolutionary crystal structure prediction CW Glass, AR Oganov, N Hansen Computer physics communications 175 (11-12), 713-720, 2006 | 1276 | 2006 |
How Evolutionary Crystal Structure Prediction Works and Why AR Oganov, AO Lyakhov, M Valle Accounts of chemical research 44 (3), 227-237, 2011 | 1194 | 2011 |
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer AR Oganov, S Ono Nature 430 (6998), 445-448, 2004 | 1110 | 2004 |
Ionic high-pressure form of elemental boron AR Oganov, J Chen, C Gatti, Y Ma, Y Ma, CW Glass, Z Liu, T Yu, ... Nature 457 (7231), 863-867, 2009 | 1008 | 2009 |
Transparent dense sodium Y Ma, M Eremets, AR Oganov, Y Xie, I Trojan, S Medvedev, AO Lyakhov, ... Nature 458 (7235), 182-185, 2009 | 887 | 2009 |
Superhard monoclinic polymorph of carbon Q Li, Y Ma, AR Oganov, H Wang, H Wang, Y Xu, T Cui, HK Mao, G Zou Physical review letters 102 (17), 175506, 2009 | 612 | 2009 |
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 | 597 | 2016 |
Semimetallic two-dimensional boron allotrope with massless Dirac fermions XF Zhou, X Dong, AR Oganov, Q Zhu, Y Tian, HT Wang Physical Review Letters 112 (8), 085502, 2014 | 581 | 2014 |
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 | 578 | 2015 |
Structure prediction drives materials discovery AR Oganov, CJ Pickard, Q Zhu, RJ Needs Nature Reviews Materials 4 (5), 331-348, 2019 | 532 | 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 | 511 | 2013 |
Modern methods of crystal structure prediction AR Oganov John Wiley & Sons, 2011 | 454 | 2011 |
High-pressure phases of CaCO3: crystal structure prediction and experiment AR Oganov, CW Glass, S Ono Earth and planetary science letters 241 (1-2), 95-103, 2006 | 404 | 2006 |
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 | 341 | 2017 |
Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning EV Podryabinkin, EV Tikhonov, AV Shapeev, AR Oganov Physical Review B 99 (6), 064114, 2019 | 322 | 2019 |
A little bit of lithium does a lot for hydrogen E Zurek, R Hoffmann, NW Ashcroft, AR Oganov, AO Lyakhov Proceedings of the National Academy of Sciences 106 (42), 17640-17643, 2009 | 315 | 2009 |
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 | 310 | 2014 |