Zhu Q., Oganov A.R., Zeng Q.F., Zhou X.F. (2016).
Structure prediction and its applications in computational materials design.
Chem. Model. 12, 219-248.

Reilly A.M., Cooper R.I., ..., Zhu, Q., Groom C.R. et al. (2016).
Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods.
Acta Cryst B, 72, 439-459

Wang Q., Oganov A.R., Feya O.D., Zhu Q., Dongwei M. (2016).
The unexpectedly rich reconstructions of rutile TiO2(011)-(2x1) surface and the driving forces behind their formation: an ab initio evolutionary study.
Phys. Chem. Chem. Phys. 18, 19549

Davari Esfahani M.M., Wang Z.H., Oganov A.R., Dong H.F., Zhu Q., Wang S.N., Rakitin M.S., Zhou X.F. (2016).
Superconductivity of novel tin hydrides (SnnHm) under pressure.
Sci. Rep. 6, 22873

Wang S.N., Oganov A.R., Qian G.R., Zhu Q., Dong H.F., Davari Esfahani M.M. (2016).
Novel superhard B-C-O phases predicted from first principles.
Phys. Chem. Chem. Phys. 18, 1859-1863.

Zhang W.W., Oganov A.R., Zhu Q., Lobanov S., Stavrou E., Goncharov A.F. (2016).
Stability of numerous novel potassium chlorides at high pressure.
Sci. Rep. 6, 26265

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 [pdf] See ESRF highlight

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