Home Page of Artem R. Oganov
                                                        Home Page of Artem R. Oganov

Professor Artem R. Oganov,
Dept. of Geosciences and Dept. of Physics and Astronomy, State University of New York at Stony Brook, Stony Brook NY 11794-2100, U.S.A.
Telephone: +1-631-632-1429 (office), 631-632-1449 (lab), 631-632-8241 (admin. assistant). Fax: +1-631-632-8240. Facebook: //www.facebook.com/artem.r.oganov.

1/2010-now -  Full Professor, State University of New York at Stony Brook.
2008-1/2010 - Associate Professor, State University of New York at Stony Brook.
2007-2008 - Privatdozent and Group Leader, ETH Zurich.
2003-2007 - Senior Scientist and Group Leader, ETH Zurich.
2002-2003 - Research Fellow, University College London.

2007 - Habilitation in Crystallography, ETH Zurich
2002 - PhD in Crystallography, University College London
1997 - Diploma in Crystallography, Moscow State University

Career Record: 109 papers (including 5 in Nature, 1 in Nature Materials, 1 in Nature Chemistry, 5 in PNAS, 8 in PRL, 1 in Acc.Chem.Res.,2 in Scientific Reports), 1 book, 2 patents. Gave over 200 talks and colloquia. Editorial Board member of "Journal of Superhard Materials" and "Scientific Reports" (Nature Publishing Group), refereed for >60 journals and for Oxford University Press book publishing. Founder and chairman of the Commission on Crystallography of Materials (International Union of Crystallography). 

Awards: President's Award of the Geological Society of London (2002); Outstanding Young Scientist Award of the European Union of Geosciences (2003); European High-Pressure Research Group Award (2004); ETH Latsis Prize (2006), Research Excellence Medal of the European Mineralogical Union (2007), Elsevier's awards for most cited paper of 2004-2007 and 2005-2010, Newsweek's ranked 12th Russian scientist abroad (2008), Forbes's ranked 6th most successful Russian scientist (2011). Invited professor in Milano (2005), Paris (2006-2007, 2010), Hong Kong (2008), Lille (2009,2010,2012), Poitiers (2011), Guilin (2009). Honorary Professor of Yanshan University, China (2012). 
Research: My research, interdisciplinary by nature, marries theoretical crystallography, condensed matter physics, theoretical chemistry, materials science, computational mathematics, and Earth sciences. I develop and apply novel computational methods, with the aim of predicting and understanding the behavior of materials (fundamentally interesting or technologically useful materials, planet-forming or synthetic materials, etc. etc.). The major goal of my research is to enable computational materials discovery. With the help of theory and computation, I aim to understand the factors governing the structure and properties of solids, their structural and electronic transitions - especially under pressure, where conventional rules and models often break down.

Among the highlights of this research are:
1) USPEX: Novel method for crystal structure prediction (EPSL 2006, J.Chem.Phys. 2006, Comp.Phys.Comm. 2006, Acc. Chem. Res. 2011).
2) Evolutionary metadynamics: another powerful method for predicting crystals structures, also capable of predicting phase transformation mechanisms (CrystEngComm 2012).
3) Development of a method for quantifying and visualizing energy landscapes (J.Chem.Phys. 2009).
4) Development of a hybrid global optimization method for searching for materials with target physical properties (PRB 2011), which offers a novel way for materials discovery on the computer.
5) Joint theoretical/experimental discovery of MgSiO3 post-perovskite, the main mineral of the Earth's D'' layer (Nature 2004). This discovery has been confirmed by a number of independent studies. 
6) First theoretical studies of the rheology of MgSiO3 perovskite and post-perovskite (Nature 2005) based on first-principles metadynamics, and a new interpretation of the seismic anisotropy of the Earth's D" layer. Prediction of a polytypic series of structures between perovskite and post-perovskite, possible new mantle minerals, experimentally confirmed by O.Tschauner in 2008.
7) Mineral physics interpretation of seismic tomography in terms of temperature distribution in the Earth's mantle (Nature 2001). Thermal model of the Earth's mantle (EMU Lecture Notes 2002).  
8) Ab initio phase diagrams of Earth-forming minerals (Nature, PNAS, PRL, Phys.Rev.B, J.Chem.Phys., 2003-2006). Prediction and discovery of novel high-pressure mineral phases of CaCO3 (EPSL 2006), MgCO3 and CO2 (EPSL 2008).
9) Advanced pressure calibration methods for experiments in diamond anvil cells, and novel P-T pressure scales (DAN 2003, 2006; PRB 2007).
10) Discovery of novel high-pressure structures of the elements - partially ionic phase of boron (Nature, January 2009) and transparent insulating phase of sodium (Nature, March 2009). Prediction and elucidation of pressure-induced structural transformation in methane (J.Chem.Phys. 2010), silane (PRL 2009), germane (PRL 2008), stannane (PNAS 2010), carbon (PRL 2009), nitrogen (PRL 2009), calcium (PNAS 2010), novel lithium hydrides (PNAS 2009), phases of graphane (PNAS 2011), xenon silicates (Nature Chemistry 2012), magnesium borohydride (PRL 2012).
11) Establishment of the structure of a new allotrope of carbon - "superhard graphite" (J.Chem.Phys. 2006, PRL 2009, Scientific Reports 2012).
12) Prediction and verification of new exotic classes of compounds, thermodynamically stable under pressure: e.g., in the Na-Cl system (Na3Cl, Na2Cl, Na3Cl2, NaCl3, NaCl7) and Mg-O system (Mg3O2, MgO2). 
Selected papers:

27. Zhang W.W., Oganov A.R., Goncharov A.F., Zhu Q., Boulfelfel S.E., Lyakhov A.O., Somayazulu M., Prakapenka V.B. (2012). Unexpected stoichiometries of stable sodium chlorides. Submitted. (arxiv-publication of 15 Nov. 2012)
26. Zhu Q., Oganov A.R., Lyakhov A.O. (2012). Unexpected stoichiometries in Mg-O system at high pressure. Submitted. (arxiv-publication of 28 Nov. 2012)
25. Zhou X.-F., Oganov A.R., Qian G.R., Zhu Q. (2012). First-principles determination of the structure of magnesium borohydride. Phys. Rev. Lett. 109, 245503. (pdf-file).
24. Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. (2012). Xenon oxides and silicates at high pressures. Nature Chemistry, in press (published online; pdf-file).
23. Boulfelfel S.E., Oganov A.R., Leoni S. (2012). Understanding the nature of "superhard graphite". Scientific Reports 2, art. 471. (pdf-file).
22. Zhu Q., Oganov A.R., Glass C.W., Stokes H.T. (2012). Structure prediction for molecular crystals using evolutionary algorithms: methodology and applications. Acta Cryst. B68, 215-226 (Feature Article). (pdf-file).
21. Zhu Q., Oganov A.R., Lyakhov A.O. (2012). Evolutionary metadynamics: a novel method to predict crystal structures. Cryst.Eng.Comm. 14, 3596-3601. (pdf-file).
20. Oganov A.R., Lyakhov A.O., Valle M. (2011). How evolutionary crystal structure prediction works - and why. Acc. Chem. Res. 44, 227-237 (pdf-file).
19. Wen X.D., Hand L., Labet V., Yang T., Hoffmann R., Ashcroft N.W., Oganov A.R., Lyakhov A.O. (2011). Graphane sheets and crystals under pressure.
Proc. Natl. Acad. Sci. 108, 6833-6837 (pdf-file, Supporting Online Materials).
18. Xie Y., Oganov A.R., Ma Y. (2010). Novel structures and high pressure superconductivity of CaLi2. Phys. Rev. Lett. 104, 177005 (pdf-file, Supplementary Material).
17. Oganov A.R., Ma Y.M., Xu Y., Errea I., Bergara A., Lyakhov A.O. (2010). Exotic behavior and crystal structures of calcium under pressure. Proc. Natl. Acad. Sci.107, 7646-7651 (pdf-file, Supplementary Material).
16. Gao G., Oganov A.R., Li Z., Li P., Cui T., Bergara A., Lyakhov A.O., Ma Y., Iitaka T., Zou G. (2010). Crystal structures and superconductivity of stannane under high pressure. Proc. Natl. Acad. Sci. 107, 1317-1320 (pdf-file).
15. Zurek E., Hoffmann R., Ashcroft N.W., Oganov A.R., Lyakhov A.O. (2009). A little bit of lithium does a lot for hydrogen. Proc. Natl. Acad. Sci. 106, 17640-17643. (pdf-file, Supplementary Material).
14. Li Q., Ma Y., Oganov A.R., Wang H., Wang H., Xu Y., Cui T., Mao H.-K., Zou G. (2009). Superhard monoclinic polymorph of carbon. Phys. Rev. Lett. 102, 175506. (pdf-file).
13. Oganov A.R., Valle M. (2009). How to quantify energy landscapes of solids. J. Chem. Phys. 130, 104504. (pdf-file).
12. 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. (pdf-file, Supporting Online Material).
11. Martinez-Canales M., Oganov A.R., Lyakhov A., Ma Y., Bergara A. (2009). Novel structures of silane under pressure. Phys. Rev. Lett. 102, 087005. (pdf-file).
10. Ma Y., Oganov A.R., Xie Y., Li Z., Kotakoski J. (2009). Novel high pressure structures of polymeric nitrogen. Phys. Rev. Lett. 102, 065501. (pdf-file).
9. 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. (pdf-file, Supporting Online Material).
8. Gao G., Oganov A.R., Bergara A., Martinez-Canalez M., Cui T., Iitaka T., Ma Y., Zou G. (2008). Superconducting high pressure phase of germane. Phys. Rev. Lett. 101, 107002 (pdf-file).
7. 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 (pdf-file).
6. Oganov A.R., Glass C.W. (2006). Crystal structure prediction using ab initio evolutionary algorithms: principles and applications. J. Chem. Phys. 124, art. 244704 (pdf-file).
5. 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 (pdf-file).
4. 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 (pdf-file).
3. 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 (pdf-file).
2. 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. (pdf-file).
1. 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. (pdf-file).  

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Locations of visitors to this page
                 New book (Wiley-VCH, 2010):
Modern Methods of Crystal Structure Prediction
1. December 2012: Many new major papers - please check Publications page.

2. May 2012: New major release of USPEX (v.9.1.7) - see Release Notes. All previous versions are obsolete.
Dec. 2012: new version (9.2.4) is released. Release notes will be published soon.

3. May 22, 2012: premiere of a biographical movie "Color of the crystal". Earlier, a TV-film "Once, with Artem Oganov" was released.
This web-page is not maintained since May 2013.
(1) Regularly updated website of Prof. Oganov and the Oganov lab is at http://uspex.stonybrook.edu
(2) USPEX code can be downloaded at http://uspex.stonybrook.edu/uspex.html