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Fields of Interest:

high-pressure mineralogy

theoretical crystallography

ab initio simulations

crystal structure prediction

materials design

Recent publications:

Oganov A.R., Lyakhov A.O., Valle M. (2011):
How evolutionary crystal structure prediction works - and why.
Acc. Chem. Res. 44, 227-237.

Oganov A.R. (Editor):
Modern Methods of Crystal Structure Prediction.
Berlin: Wiley-VCH. ISBN: 978-3-527-40939-6. (2010).

Ma Y., Eremets M.I., Oganov A.R., Xie Y., Trojan I., Medvedev S., Lyakhov A.O., Valle M., Prakapenka V. (2009):
Transparent dense sodium.
Nature 458, 182-185.

Oganov A.R., Chen J., Gatti C., Ma Y.-Z., Ma Y.-M., Glass C.W., Liu Z., Yu T., Kurakevych O.O., Solozhenko V.L. (2009):
Ionic high-pressure form of elemental boron.
Nature 457, 863-867.

Oganov A.R., Glass C.W. (2006):
Crystal structure prediction using ab initio evolutionary algorithms: principles and applications.
J. Chem. Phys. 124, art. 244704.

Oganov A.R., Glass C.W., Ono S. (2006):
High-pressure phases of CaCO3: crystal structure prediction and experiment.
Earth Planet. Sci. Lett.241, 95-103.

Oganov A.R., Martonák R., Laio A., Raiteri P., Parrinello M. (2005):
Anisotropy of Earth’s D” layer and stacking faults in the MgSiO3 post-perovskite phase.
Nature 438, 1142-1144.

Oganov A.R., Ono S. (2005):
The high pressure phase of alumina and implications for Earth’s D” layer.
Proc. Natl. Acad. Sci. 102, 10828-10831.

Oganov A.R., Ono S. (2004):
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D" layer.
Nature 430, 445-448.

Oganov A.R., Brodholt J.P., Price G.D. (2001):
The elastic constants of MgSiO3 perovskite at pressures and temperatures of the Earth's mantle.
Nature 411, 934-937.