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Peer Reviewed Papers

  1. Zhu S-C, Yan X-Z, Fredericks S, Li, Y-L and Zhu, Q*. (2018)
    First-principles investigation of Sc-III/IV under high pressure.
    Phys. Rev. B, 98, 214116 [html] [pdf]

  2. Frolov T, Zhu Q, Oppelstrup T, Marian J, Rudd RE, (2018)
    Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects
    Acta Mater., 159, 123-134 [html] [pdf]

  3. Yu. X-H, Oganov, A. R., Zhu Q. Qi, F and Qian G-R. (2018)
    The stability and unexpected chemistry of oxide clusters.
    Physical Chemistry Chemical Physics, DOI:10.1039/C8CP03519A [html]

  4. Dong, H-F, Oganov, A. R., Brazhkin V., Wang, Q., Zhang. J., Esfahani M. D., Zhou. X-F, Wu. G. and Zhu, Q. (2018)
    Boron oxides under pressure: Prediction of the hardest oxides.
    Phys. Rev. B, 98, 174109 [html]

  5. Hao, C-M, Li Y-G , Zhu, Q*, Chen X-Y, Wang Z-X, Li, Y-L, (2018)
    Pressure-induced structural phase transition in Li4Ge
    CrystEngComm, 20, 5949-5954 [html]

  6. Tan M, Shtukenberg AG, Zhu SC, Xu WQ, Dooryhee E, Nichols SM, Ward WD, Kahr and Zhu, Q*, (2018)
    ROY revisited, again: the eighth solved structure
    Faraday Discussion, 211, 477-491 [html]

  7. Chido MT, Koronaios P, Saravanan K, Adams AP, Geib SJ, Zhu Q, Sunkara, HB, Velankar SS, Enick RM, Keith JA, and Star A, (2018)
    Oligomer Hydrate Crystallization Improves Carbon Nanotube Memory
    Chem. Mater., 30, 3813-3818 [html] [pdf]

  8. Wang P, Wang Y, Qu J, Zhu Q*, Yang W-G, Zhu J-L, Wang, L-P, Zhang W-W, He D-W, Zhao Y-S, (2018)
    Pressure-induced structural and electronic transitions, metallization, and enhanced visible-light responsiveness in layered rhenium disulphide
    Phys. Rev. B, 97, 235202 [html] [pdf]

  9. Frolov T, Setyawan W, Kurtz R, Marian J, Oganov AR, Rudd RE, Zhu Q*, (2018)
    Grain boundary phases in bcc metals.
    Nano Scale, 10, 8253-8268 [html] [pdf]

  10. He XL, Dong X, Wu QS, Zhao Z, Zhu Q, Oganov AR, Tian Y, Yu D, Zhou XF, Wang HT. (2018)
    Predicting the ground-state structure of sodium boride.
    Phys. Rev. B, 97, 100102(R) [html] [pdf]

  11. Zhu W, Zhu YB, Wang L, Zhu Q, Zhao W, Zhu C, Bai J, Yang J, Yuan, LF, Wu H, Zeng X ... (2018)
    Water Confined in Nanocapillaries: Two-Dimensional Bilayer Square-like Ice and Associated Solid-Liquid-Solid Transition.
    J. Phys. Chem. C, 122, 6704-6712 [html] [pdf]

  12. Zhu Q, Samanta A, Li, B-X, Rudd, R.E., Frolov, T. (2018)
    Predicting phase behavior of grain boundaries with evolutionary search and machine learning.
    Nature Communication, 9, 467 [html] [pdf]

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