Artem R. Oganov 

Artem R. Oganov

Office: ESS 354   
E-mail Address: artem.oganov "at"

Diploma in Crystallography, Moscow State University, 1997
PhD in Crystallography, University College London, 2002
Habilitation in Crystallography, ETH Zurich, 2007 
Faculty member at Stony Brook University since 2008

Director, Center for Materials by Design, Stony Brook University, since 04/2013
Full Professor, Stony Brook University, since 01/2010
Associate Professor, Stony Brook University, 2008-01/2010
Privatdozent and Group Leader, ETH Zurich, 2007-2008
Senior Scientist and Group Leader, ETH Zurich, 2003-2007
Research Fellow, University College London, 2002-2003

Go to Prof. Artem R. Oganov's personal research website.

Professor Oganov's multidisciplinary research is centred on theoretical and computational physics. Development of simulation methodologies and their application to studies of minerals at high pressures and temperatures, and to design of new materials. Understanding the factors governing the structure and properties of solids, their structural, electronic, and magnetic transitions. My group pursues research on several projects. Among the highlights of our 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). Fe2C (Uspekhi-Physics 2012).

  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 oxides (Nature Chemistry 2013), magnesium borohydride (PRL 2012), boranes (PRL 2013), two-dimensional boron (PRL 2014).

  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). (Science 2013; Phys.Chem.Chem.Phys. 2013)

Career Record 

  • 122 papers (including 5 in Nature, 1 in Science, 1 in Nature Materials, 1 in Nature Chemistry, 5 in PNAS, 9 in PRL, 1 in Acc.Chem.Res., 2 in Scientific Reports). Citation 4396. h-index=34
  • 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 more than 60 journals and for Oxford University Press book publishing.
  • Founder and chairman of the Commission on Crystallography of Materials (International Union of Crystallography)


  • 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 (2008)
  • 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),
    Guilin (2009),
    Lille (2009,2010,2012,2013),
    Poitiers (2011), 
    Beijing (2012),
  • Honorary Professor of Yanshan University, China (2012)
  • Fellow of the Mineralogical Society of America (2013) 

Selected Papers 

  1. Zhang W.W., Oganov A.R., Goncharov A.F., Zhu Q., Boulfelfel S.E., Lyakhov A.O., Stavrou E., Somayazulu M., Prakapenka V.B., Konopkova Z. (2013). Unexpected stoichiometries of stable sodium chlorides. Science 342, 1502-1505. (pdf-file)

  2. Zhu Q., Jung D.Y., Oganov A.R., Gatti C., Glass C.W., Lyakhov A.O. (2013). Stability of xenon oxides at high pressures. Nature Chemistry 5, 61-65.(pdf-file).

  3. Zhu Q., Oganov A.R., Lyakhov A.O. (2013). Novel stable compounds in the Mg-O system under high pressure. Phys. Chem. Chem. Phys. 15, 7696-7700. (pdf-file)

  4. 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).

  5. Boulfelfel S.E., Oganov A.R., Leoni S. (2012). Understanding the nature of "superhard graphite". Scientific Reports 2, art. 471. (pdf-file).

  6. 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).

  7. 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).

  8. 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).

  9. 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-fileSupporting Online Materials).

  10. Xie Y., Oganov A.R., Ma Y. (2010). Novel structures and high pressure superconductivity of CaLi2. Phys. Rev. Lett. 104, 177005 (pdf-fileSupplementary Material).

  11. 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).

  12. 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).

  13. 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-fileSupplementary 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).

  15. Oganov A.R., Valle M. (2009). How to quantify energy landscapes of solids. J. Chem. Phys.130, 104504. (pdf-file).

  16. 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).

  17. 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).

  18. 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).

  19. 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-fileSupporting Online Material).

  20. 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).

  21. 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).

  22. 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).

  23. 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).

  24. 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).

  25. 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).

  26. 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).

  27. 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). 

News & Announcements

Geosciences Seminar

Geosciences Department Newsletter


Richard Reeder named Vice President for Research and Operations Manager

Mars Rover collects exciting evidence from Gale Crater

Congratulations to Scott McLennan who was named Distinguished Professor

Funding Opportunity for MS applicants interested in Instrumentation

Geosciences alum Barbara Cohen named to leadership position for Mars Exploration Rovers 

Q & A with Geosciences Graduate Student Steven Jaret as he prepares for the International FameLab national finals in Washington D.C. 

Geosciences Graduate Students bring hands-on Science education to area elementary schools

Melissa Sims chosen to introduce Secretary of Energy at NSLS-II Dedication

Celebrating Robert Cooper Liebermann

Professor Joel Hurowitz named Deputy PI for Mars 2020 Rover Instrument

PhD Student Yuyan (Sara) Zhao selected for Prestigious Dwornik Award

Professor Timothy Glotch to lead NASA funded research team

Professor Martin Schoonen named Chairman of the Environmental Sciences Department at BNL

Professors John Parise and Artem Oganov pursue Materials Genome Initiative

Professor Deanne Rogers finds evidence for past groundwater on Mars

Professor Robert Liebermann accepts Edward A. Flinn Award

Professor Scott McLennan selected for NASA's Mars Science Laboratory Team

Professor Timothy Glotch receives NSF Career Award

Geosciences PhD Francis McCubbin receives Presidential Early Career Award

Professor Scott McLennan on NASA team that finds new evidence for water at Mars crater

Geoscience Researchers Develop Numerical Model to Better Forecast Forces Behind Earthquakes 

Geoscience Professor Don Weidner selected to receive Inge Lehman Medal

Geoscience researchers find that natural minerals disinfect drinking water

Professor Dan Davis publishes 4th edition of "Turn Left at Orion"

Stony Brook PhD and Faculty Advisor Show that the Moon Isn't as Dry as Previously Thought

The Department welcomes its new faculty member, Deanne Rogers

Jerome Varriale, Geosciences major, Named URECA Researcher of the Month  


Department of Geosciences - Earth and Space Science Building, Stony Brook, NY 11794-2100  Phone: (631) 632-8200
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