crystal structure prediction; ab initio calculations; evolutionary algorithms; mineral physics
Main publications:
Reilly A.M., Cooper R.I., ..., Oganov A.R., Groom C.R. et al. (2016).
Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods.
Acta Cryst B, 72, 4, 439-459
Li Y.L., Wang S.N., Oganov A. R., Gou H., Smith J.S., Strobel T.A. (2015).
Investigation of exotic stable calcium carbides using theory and experiment.
Nature Communications 6, 6974.
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. (Supporting Online Material)
Martonák R., Donadio D., Oganov A.R., Parrinello M. (2006).
Crystal structure transformations in SiO2 from classical and ab initio metadynamics.
Nature Materials 5, 623-626
Oganov A.R., Glass C.W. (2006).
Crystal structure prediction using ab initio evolutionary techniques: principles and applications.
J. Chem. Phys. 124, art. 244704
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. (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.
Y. Alkabakibi, D. D. Barma, D. V. Rybkovskiy, A. Turdi, C. Xie, A. R. Oganov, “Computational identification of four promising nonlinear optical materials for near and middle ultraviolet operation”, Pis'ma v Zh. Èksper. Teoret. Fiz., 121:4 (2025), 266–272; JETP Letters, 121:4 (2025), 256–261
M. A. Mazannikova, Dm. M. Korotin, V. I. Anisimov, A. R. Oganov, D. Y. Novoselov, “Dimensionality-driven evolution of electronic structure and transport properties in pressure-induced phases of Ca$_2$N electride”, Pis'ma v Zh. Èksper. Teoret. Fiz., 118:9 (2023), 664–670; JETP Letters, 118:9 (2023), 651–657
V. I. Anisimov, A. R. Oganov, M. A. Mazannikova, D. Y. Novoselov, Dm. M. Korotin, “Formal valence, charge distribution, and chemical bond in a compound with a high oxidation state: KMnO$_4$”, Pis'ma v Zh. Èksper. Teoret. Fiz., 117:5 (2023), 385–386; JETP Letters, 117:5 (2023), 377–383
I. A. Troyan, D. V. Semenok, A. G. Ivanova, A. G. Kvashnin, D. Zhou, A. V. Sadakov, O. A. Sobolevskiy, V. M. Pudalov, I. S. Lyubutin, A. R. Oganov, “High-temperature superconductivity in hydrides”, UFN, 192:7 (2022), 799–813; Phys. Usp., 65:7 (2022), 748–761
D. Y. Novoselov, D. M. Korotin, A. O. Shorikov, A. R. Oganov, V. I. Anisimov, “Interplay between Coulomb interaction and hybridization in Ca and anomalous pressure dependence of resistivity”, Pis'ma v Zh. Èksper. Teoret. Fiz., 109:6 (2019), 392; JETP Letters, 109:6 (2019), 387–391
Z. G. Bazhanova, V. V. Roizen, A. R. Oganov, “High-pressure behavior of the Fe–S system and composition of the Earth's inner core”, UFN, 187:10 (2017), 1105–1113
Z. G. Bazhanova, A. R. Oganov, O. Gianola, “Fe–C and Fe–H systems at pressures of the Earth's inner core”, UFN, 182:5 (2012), 521–530; Phys. Usp., 55:5 (2012), 489–497
