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Education
2009-2013 - PhD in Geosciences, SUNY Stony Brook.
2003-2007 - B.S. in Materials Sciences Engineering, Beihang University
Research interests
Materials under extreme conditions
Organic crystal polymorphism
Matrials defects
Molecular dynamic simulation and Phase transitions
Publications
Book Chapter
[3] Zhu Q, Oganov AR, Zeng QF,Zhou XF (2016) Structure prediction and its application in Computational Materials Design. Chem. Model12, 219-248
[2] Zhu Q, Oganov AR, Zhou XF (2014) Crystal structure prediction and its application in Earth and Materials Sciences. Topics in Current Chemistry
[1] Oganov AR, Lyakhov AO, Zhu Q (2013) Theory of Superhard Materials. Comprehensive Hard Materials. 3, 59-79
Selected Peer Reviewed Paper
[12] Zhu, Q., Shtukenberg, A. G., et al (2016). Resorcinol Crystallization from the Melt: A New Ambient Phase and New Riddles J. Am. Chem. Soc., 138, 4881-4889
[11] Meng, X., Wang, L., Liu, D., Wen, X., Zhu, Q., Goddard III, W. A., An, Q. (2016). Discovery of Fe2P-type Ti (Zr/Hf) 2O6 Photocatalysts toward Water Splitting. Chem. Mater. , 28, 1335-1342
[10] Zhu, Q., Oganov, A. R., Lyakhov, A. O., Yu, X-X. (2015). Generalized evolutionary metadynamics for sampling the energy landscapes and its applications. Phys. Rev. B , 92, 024106
[9] Zhu, Q., Oganov, A. R., & Zeng, Q. F. (2015). Formation of Stoichiometric CsFn Compounds. Sci. Rep. , 5, 7875
[8] Zhu, Q., Sharma, V., Oganov, A. R., Ramprasad, R. (2014) Predicting Polymeric Crystal Structures by Evolutionary Algorithms. J. Chem. Phys. 141, 154102
[7] Sharma, V., Wang, C., Lorenzini, R. G., Ma, R., Zhu, Q., Sinkovits, D. W., Pilania, G., Oganov, A. R., Kumar, S., Sotzing, G. A., Boggs S.A., Ramprasad R. (2014). Rational design of all organic polymer dielectrics. Nat. Commun., 5, 4845
[6] Zhu Q, Li L, Oganov AR, Allen PB (2013) Evolutionary Method for Predicting Surface Reconstructions with Variable Stoichiometry. Phys. Rev. B, 87, 195317
[5] Zhu Q, Oganov AR, Lyahkov AO (2013) Novel Stable Compounds in the Mg-O System under High Pressure. Phys. Chem. Chem. Phys. 15, 7696-7700
[4] Zhu Q, Jung DY, Oganov AR, Glass CW, Gatti C and Lyakhov AO (2013) Stability of xenon oxides at high pressures. Nature Chemistry 5, 61-65
[3] Zhu Q, Zeng Q, Oganov AR.(2012). Systematic search for low-enthalpy sp(3) carbon allotropes using evolutionary metadynamics. Phys. Rev. B 85, 201407
[2] Zhu Q, Oganov AR, Glass CW, Stokes H.(2012). Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications. Acta. Caryst. B68, 215-226
[1] Zhu Q., Oganov A.R., Salvado M.A., Pertierra P., and Lyakhov A.O. (2011) Denser than diamond: Ab initio search for superdense carbon allotropes. Phys. Rev. B 83, 193410.
PhD Thesis
Crystal structure prediction and its application in Earth and Materials Sciences (pdf)
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Stony Brook University, 2013
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