Artem R. Oganov

Doctor of Geology and Mineralogy, Professor

Skolkovo Institute of Science and Technology, Moscow, Russia

ResearchGate  ORCID

Artem Oganov is a Russian and American theoretical crystallographer, mineralogist, chemist, physicist, and materials scientist. He is known mostly for his works on computational materials discovery and crystal structure prediction. Oganov has published over 170 peer-reviewed articles (many in top journals, e.g. Nature, Science) and book chapters. He is an author of 5 patents. Total citations >9700, h-index 52 (Google scholar, as of October 2016).

He is a laureate of several prestigious awards, including an ETH Latsis Prize, Research Excellence Model of the European Mineralogical Union, three most-cited paper awards from Elsevier. Since 2005 he held over 10 invited professorships (Universita degli Studi di Milano, Lille'Polytech, University of Paris, University of Poitiers, Chinese University of Hong Kong, Chinese Academy of Sciences, Japan Society for the Promotion of Science, etc). In 2011 he founded the Commission on Crystallography of Materials at the International Union of Crystallography. In 2011, Forbes magazine listed Oganov among "50 Russians who conquered the world". In 2012, highly acclaimed cinema director, Laureate of State Prize Vladimir Gerchikov made a film "The color of a crystal" about Oganov, and in 2015 famous TV journalist Leonid Parfenov made a film "Made by Russians" about him. In 2013, magazines "Russian reporter" and "Expert" have listed Oganov among 100 most influential Russians today. In 2012, Oganov became a Professor Honoris Causa of Yanshan University (China), in 2013 elected Fellow of the Mineralogical Association of America, in 2015 elected Professor of the Russian Academy of Sciences.

Publications 2019-2024

• Zhou D., Semenok D., Galasso M., Alabarse F.G., Sannikov D., Troyan I.A., Nakamoto Y., Shimizu K., Oganov A.R., 2024. Correction to Raisins in a Hydrogen Pie: Ultrastable Cesium and Rubidium Polyhydrides (Adv. Energy Mater., (2024), 14, (2400077), 10.1002/aenm.202400077). ADVANCED ENERGY MATERIALS 14(46), 2404657. https://doi.org/10.1002/aenm.202404657
• Chang L., Tamaki H., Yokoyama T., Wakasugi K., Yotsuhashi S., Kusaba M., Oganov A.R., Yoshida R., 2024. Shotgun Crystal Structure Prediction Using Machine-Learned Formation Energies. NPJ COMPUTATIONAL MATERIALS 10(1), 298. https://doi.org/10.1038/s41524-024-01471-8
• Fan T., Oganov A.R., 2024. Combining Machine-Learning Models with First-Principles High-Throughput Calculations to Accelerate the Search for Promising Thermoelectric Materials. JOURNAL OF MATERIALS CHEMISTRY C 13(3), 1439–1448. https://doi.org/10.1039/d4tc03403a
• Kong J., Shi K., Oganov A.R., Zhang J., Su, L., Dong X., 2024. Exotic Compounds of Monovalent Calcium Synthesized at High Pressure. MATTER AND RADIATION AT EXTREMES 9(6), 067803. https://doi.org/10.1063/5.0222230
• Fedyaeva M., Lepeshkin S., Chukanov N.V., Oganov A.R., 2024. Mutual Transformations of Polysulfide Chromophore Species in Sodalite-Group Minerals: A DFT Study on S6 Decomposition. CHEMPHYSCHEM 25(20), e202400532. https://doi.org/10.1002/cphc.202400532
• Zhou D., Semenok D., Galasso M., Alabarse F.G., Sannikov D., Troyan I.A., Nakamoto Y., Shimizu K., Oganov A.R., 2024. Raisins in a Hydrogen Pie: Ultrastable Cesium and Rubidium Polyhydrides. ADVANCED ENERGY MATERIALS 14(23), 2400077. https://doi.org/10.1002/aenm.202400077

• Korotin D.M., Novoselov D.Y., Shorikov A.O., Anisimov V.I., Oganov A.R., 2023. Electronic Correlations in Promising Room-Temperature Superconductor Pb₉Cu(PO₄)₆O: A DFT+DMFT Study. https://doi.org/10.48550/arXiv.2308.04301

• Hong-Mei H., Zhu Q., Blatov V., Oganov A., Wei X., Jiang P., Li Y., 2023. Novel Topological Motifs and Superconductivity in Li-Cs System. NANO LETTERS 23. https://doi.org/10.1021/acs.nanolett.3c00875
• Chen W., Huang X., Semenok D., Chen S., Zhou D., Zhang K., Oganov A., Cui T., 2023. Enhancement of Superconducting Properties in the La-Ce-H System at Moderate Pressures. NATURE COMMUNICATIONS 14, 2660. https://doi.org/10.1038/s41467-023-38254-6
• Maltsev A., Chepkasov I., Kvashnin A., Oganov A., 2023. Ionic Conductivity of Lithium Phosphides. CRYSTALS 13(5), 756. https://doi.org/10.3390/cryst13050756
• Hao Ch.-M., Li X., Oganov A., Hou J., Ding Sh., Ge Y., Wang L., Dong X. et al., 2023. Superconductivity in Graphite Intercalation Compounds with Sodium. https://doi.org/10.48550/arXiv.2305.00444
• Pozdnyakov S., Oganov A., Mazhnik E., Mazitov A., Kruglov I., 2023. Fast General Two- and Three-Body Interatomic Potential. PHYSICAL REVIEW B 107(12), 125160. https://doi.org/10.1103/PhysRevB.107.125160
• Fedyaeva M., Lepeshkin S., Oganov A., 2023. Stability of Sulfur Molecules and Insights into Sulfur Allotropy. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 25. https://doi.org/10.1039/D2CP05498A
• Anisimov V., Oganov A., Mazannikova M., Novoselov D., Korotin D., 2023. Formal Valence, Charge Distribution and Chemical Bond in a Compound with a High Oxidation State: KMnO₄. JETP LETTERS 117, 377–383. https://doi.org/10.1134/S0021364023600143
• Rachitskii P., Kruglov I., Finkelstein A., Oganov A., 2023. Protein Structure Prediction Using the Evolutionary Algorithm USPEX. PROTEINS 91(7), 933–943. https://doi.org/10.1002/prot.26478
• Oganov A., German K., Zhou D., Semenok D., Volkov M., Troyan I., Seregin A., Chepkasov I., Sannikov D., Lagoudakis P., 2023. Synthesis of Technetium Hydride TcH_1.3 at 27 GPa. PHYSICAL REVIEW B 107, 064102. https://doi.org/10.1103/PhysRevB.107.064102
• Mikhailova A., Lepeshkin S., Baturin V., Maltsev A., Uspenskii Yu., Oganov A., 2023. Ultralow Reaction Barriers for CO Oxidation in Cu-Au Nanoclusters. NANOSCALE https://doi.org/10.1039/D3NR02044D
• Rybkovskiy D., Lepeshkin S., Baturin V., Mikhailova A., Oganov A., 2022. Phosphorus Nanoclusters and Insight into the Formation of Phosphorus Allotropes. NANOSCALE 15, 1338–1346. https://doi.org/10.1039/D2NR06523A
• Hou J., Dong X., Oganov A., Weng X.J., Hao Ch.-M., Yang G., Wang H.-T., Zhou X.-F., Tian Y., 2022. Helium-Bearing Superconductor at High Pressure. PHYSICAL REVIEW B 106, L220501. https://doi.org/10.1103/PhysRevB.106.L220501
• Eremets M., Somayazulu M., Oganov A., Ovchenkova I., 2022. Phenomena of Hydrides. JOURNAL OF APPLIED PHYSICS 132(18), 180401. https://doi.org/10.1063/5.0131175
• Galasso M., Oganov A., 2022. Automag: An Automatic Workflow Software for Calculating the Ground Magnetic State of a Given Structure and Estimating Its Critical Temperature. COMPUTER PHYSICS COMMUNICATIONS 283, 108571. https://doi.org/10.1016/j.cpc.2022.108571
• Marchenko E., Oganov A., Mazhnik E., Eremin N., 2022. Stable Compounds in the CaO-Al₂O₃ System at High Pressures. PHYSICS AND CHEMISTRY OF MINERALS 49, 44. https://doi.org/10.1007/s00269-022-01221-6
• Xie C., Tudi A., Oganov A.R., 2022. PNO: A Promising Deep-UV Nonlinear Optical Material with the Largest Second Harmonic Generation Effect. CHEMICAL COMMUNICATIONS 58(89), 12491–12494. https://doi.org/10.1039/D2CC02364D
• Koshkaki S.R., Allahyari Z., Oganov A., Solozhenko V., Polovov I., Belozerov A., Katanin A., Anisimov V. et al., 2022. Computational Prediction of New Magnetic Materials. THE JOURNAL OF CHEMICAL PHYSICS 157(12), 124704. https://doi.org/10.1063/5.0113745
• Semenok D., Troyan I., Sadakov A., Zhou D., Galasso M., Kvashnin A., …, Oganov A., 2022. Effect of Magnetic Impurities on Superconductivity in LaH₁₀. ADVANCED MATERIALS 34(42), 2204038. https://doi.org/10.1002/adma.202204038
• Rybin N., Chepkasov I., Novoselov D., Anisimov V., Oganov A., 2022. Prediction of Stable Silver Fluorides. THE JOURNAL OF PHYSICAL CHEMISTRY C 126. https://doi.org/10.1021/acs.jpcc.2c04785
• Lepeshkin S., Baturin V., Naumova A., Oganov A., 2022. “Magic” Molecules and a New Look at Chemical Diversity of Hydrocarbons. THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13, 7600–7606. https://doi.org/10.1021/acs.jpclett.2c02098
• Novoselov D., Shorikov A., Korotin D., Oganov A., Mazannikova M., Anisimov V., Korotin M., 2022. Localization Mechanism of Interstitial Electronic States in Electride Mayenite. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 13, 7155–7160. https://doi.org/10.1021/acs.jpclett.2c02002
• Troyan I., Semenok D., Ivanova A., Kvashnin A., Zhou D., Sadakov A., Sobolevskiy O., Pudalov V., Lyubutin I., Oganov A., 2022. High-Temperature Superconductivity in Hydrides. PHYSICS-USPEKHI 65, 748–761. https://doi.org/10.3367/UFNr.2021.05.039187
• Wang Y., Bykov M., Chepkasov I., Samtsevich A., Bykova E., Zhang X., Jiang Sh., Greenberg E., Chariton S., Prakapenka V., Oganov A., Goncharov A., 2022. Stabilization of Hexazine Rings in Potassium Polynitride at High Pressure. NATURE CHEMISTRY 14, 794–800. https://doi.org/10.1038/s41557-022-00925-0
• Semenok D., Chen W., Huang X., Zhou D., Kruglov I., Mazitov A., Galasso M., Tantardini Ch., Gonze X., Kvashnin A., Oganov A., Cui T., 2022. Sr‐Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH₂₂. ADVANCED MATERIALS 34(27), 2200924. https://doi.org/10.1002/adma.202200924
• Wang Sh., Dong H., Peng J., Wen M., Zhang X., Wu F., Goncharov A., Oganov A., 2022. Stability of Xenon-Sodium Compounds at Moderately Low Pressures. https://doi.org/10.48550/arXiv.2203.06815
• Lilia B., Hennig R., Hirschfeld P., Profeta G., Sanna A., Zurek E., Pickett W.E., Amsler M., … Oganov A.R. et al., 2022. The 2021 Room-Temperature Superconductivity Roadmap. JOURNAL OF PHYSICS CONDENSED MATTER 34(18), 183002. https://doi.org/10.1088/1361-648X/ac2864
• Dong X., Oganov A.R., Cui H., Zhou X.-F., Wang H.-T., 2022. Electronegativity and Chemical Hardness of Elements under Pressure. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES 119(10), e2117416119. https://doi.org/10.1073/pnas.2117416119
• Dyachenko A.A., Lukoyanov A.V., Anisimov V.I., Oganov A.R., 2022. Electride Properties of Ternary Silicide and Germanide of La and Ce. PHYSICAL REVIEW B 105(8), 085146. https://doi.org/10.1103/PhysRevB.105.085146
• Li H.-F., Oganov A.R., Cui H., Zhou X.-F., Dong X., Wang H.-T., 2022. Ultrahigh-Pressure Magnesium Hydrosilicates as Reservoirs of Water in Early Earth. PHYSICAL REVIEW LETTERS 128(3), A71. https://doi.org/10.1103/PhysRevLett.128.035703
• Semenok D.V., Chen W., Huang X., Zhou D., Kruglov I.A., Mazitov A.B., Galasso M., Tantardini C., Gonze X., Kvashnin A.G., Oganov A.R., Cui T., 2022. Sr-Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH₂₂. ADVANCED MATERIALS https://doi.org/10.1002/adma.202200924
• Wang Y., Bykov M., Chepkasov I., Samtsevich A., Bykova E., Zhang X., Jiang S.-Q., Greenberg E., Chariton S., Prakapenka V.B., Oganov A.R., Goncharov A.F., 2022. Stabilization of Hexazine Rings in Potassium Polynitride at High Pressure. NATURE CHEMISTRY https://doi.org/10.1038/s41557-022-00925-0
• Popov Z.I., Tikhomirova K.A., Demin V.A., Chowdhury S., Oganov A.R., Kvashnin A.G., Kvashnin D.G., 2021. Novel Two-Dimensional Boron Oxynitride Predicted Using the Uspex Evolutionary Algorithm. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23(46), 26178–26184. https://doi.org/10.1039/d1cp03754d
• Liu X., Niu H., Oganov A.R., 2021. COPEX: Co-Evolutionary Crystal Structure Prediction Algorithm for Complex Systems. NPJ COMPUTATIONAL MATERIALS 7(1), 199. https://doi.org/10.1038/s41524-021-00668-5
• Tantardini C., Oganov A.R., 2021. Author Correction: Thermochemical Electronegativities of the Elements (Nature Communications, 2021. 12, 2087). NATURE COMMUNICATIONS 12, 4406. https://doi.org/10.1038/s41467-021-24655-y
• Tantardini C., Oganov A.R., 2021. Author Correction: Thermochemical Electronegativities of the Elements (Nature Communications, 2021. 12, 2087). NATURE COMMUNICATIONS 12, 3300. https://doi.org/10.1038/s41467-021-23670-3
• Tantardini C., Oganov A.R., 2021. Thermochemical Electronegativities of the Elements. NATURE COMMUNICATIONS 12, 2087. https://doi.org/10.1038/s41467-021-22429-0
• Chen W., Semenok D.V., Kvashnin A.G., Huang X., Kruglov I.A., Galasso M., Song H., Duan D., Goncharov A.F., Prakapenka V.B., Oganov A.R., Cui T., 2021. Synthesis of Molecular Metallic Barium Superhydride: Pseudocubic BaH₁₂. NATURE COMMUNICATIONS 12, 273. https://doi.org/10.1038/s41467-020-20103-5
• Stavrou E., Maryewski A.A., Lobanov S.S., Oganov A.R., Konôpková Z., Prakapenka V.B., Goncharov A.F., 2021. Ethane and Methane at High Pressures: Structure and Stability. JOURNAL OF CHEMICAL PHYSICS 155(18), 184503. https://doi.org/10.1063/5.0067828
• Fan T., Oganov A.R., 2021. Discovery of High Performance Thermoelectric Chalcogenides through First-Principles High-Throughput Screening. JOURNAL OF MATERIALS CHEMISTRY C 9(38), 13226–13235. https://doi.org/10.1039/d1tc03146e
• Zhang J., Li X., Dong X., Dong H., Oganov A.R., McMahon J.M., 2021. Theoretical Study of the Crystal Structure, Stability, and Properties of Phases in the V-N System. PHYSICAL REVIEW B 104(13), 134111. https://doi.org/10.1103/PhysRevB.104.134111
• Chen W., Semenok D.V., Huang X., Shu H., Li X., Duan D., Cui T., Oganov A.R., 2021. High-Temperature Superconducting Phases in Cerium Superhydride with a Tc up to 115 K below a Pressure of 1 Megabar. PHYSICAL REVIEW LETTERS 127(11), 117001. https://doi.org/10.1103/PhysRevLett.127.117001
• Semenok D.V. ,Troyan I.A., Ivanova A.G., Kvashnin A.G., Kruglov I.A., Hanfland M., Sadakov A.V., Sobolevskiy O.A., …., Oganov A.R., 2021. Superconductivity at 253 K in Lanthanum–Yttrium Ternary Hydrides. MATERIALS TODAY 48, 18–28. https://doi.org/10.1016/j.mattod.2021.03.025
• Fan T., Oganov A.R., 2021. AICON2: A Program for Calculating Transport Properties Quickly and Accurately. COMPUTER PHYSICS COMMUNICATIONS 266, 108027. https://doi.org/10.1016/j.cpc.2021.108027
• Rybin N., Novoselov D.Y., Korotin D.M., Anisimov V.I., Oganov A.R., 2021. Novel Copper Fluoride Analogs of Cuprates. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23(30), 15989–15993. https://doi.org/10.1039/d1cp00657f
• Korotin D.M., Novoselov D.Y., Anisimov V.I., Oganov A.R., 2021. Mixed Spin S=1 and S=12 Layered Lattice in Cu₂F₅. PHYSICAL REVIEW B 104(6), 064410. https://doi.org/10.1103/PhysRevB.104.064410
• Novoselov D.Y., Korotin D.M., Shorikov A.O., Anisimov V.I., Oganov A.R., 2021. Interacting Electrons in Two-Dimensional Electride Ca₂N. JOURNAL OF PHYSICAL CHEMISTRY C 125(28), 15724–15729. https://doi.org/10.1021/acs.jpcc.1c04485
• Sandu M.P., Kovtunov M.A., Baturin V.S., Oganov A.R., Kurzina I.A., 2021. Influence of the Pd : Bi Ratio on Pd-Bi/Al₂O₃ Catalysts: Structure, Surface and Activity in Glucose Oxidation. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 23(27), 14889–14897. https://doi.org/10.1039/d1cp01305j
• Yue C. Weng X.-J., Gao G., Oganov A.R., Dong X., Shao X., Wang X., Sun J., Xu B., Wang H.-T., Zhou X.-F., Tian Y., 2021. Formation of Copper Boride on Cu(111). FUNDAMENTAL RESEARCH 1(4), 482–487. https://doi.org/10.1016/j.fmre.2021.05.003
• Li K., Wang J., Oganov A.R., 2021. High-Pressure Phase Diagram of the Ti-O System. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12(23), 5486–5493. https://doi.org/10.1021/acs.jpclett.1c01133
• Novoselov D.Y., Anisimov V.I., Oganov A.R., 2021. Strong Electronic Correlations in Interstitial Magnetic Centers of Zero-Dimensional Electride β-Yb₅Sb₃. PHYSICAL REVIEW B 103(23), 235126. https://doi.org/10.1103/PhysRevB.103.235126
• Li K., Wang J., Blatov V.A., Gong Y., Umezawa N., Tada T., Hosono H., Oganov A.R., 2021. Crystal and Electronic Structure Engineering of Tin Monoxide by External Pressure. JOURNAL OF ADVANCED CERAMICS 10(3), 565–577. https://doi.org/10.1007/s40145-021-0458-1
• Naumova A.S., Lepeshkin S.V., Bushlanov P.V., Oganov A.R., 2021. Unusual Chemistry of the C-H-N-O System under Pressure and Implications for Giant Planets. JOURNAL OF PHYSICAL CHEMISTRY A 125(18), 3936–3942. https://doi.org/10.1021/acs.jpca.1c00591
• Li H., Min J., Yang Z., Wang Z., Pan S., Oganov A.R., 2021. Prediction of Novel van der Waals Boron Oxides with Superior Deep-Ultraviolet Nonlinear Optical Performance. ANGEWANDTE CHEMIE – INTERNATIONAL EDITION 60(19), 10791–10797. https://doi.org/10.1002/anie.202015622
• Troyan I.A., Semenok D.V., Kvashnin A.G., Sadakov A.V., Sobolevskiy O.A., Pudalov V.M., Ivanova A.G., Prakapenka V.B., …., Oganov A.R., 2021. Anomalous High-Temperature Superconductivity in YH₆. ADVANCED MATERIALS 33(15), 2006832. https://doi.org/10.1002/adma.202006832
• Knyazev A., Savushkin I., Mirsaidov U., Lukoyanov A., Oganov A., 2021. Synthesis and Structure of Triple Thorium Phosphates with Monazite Structure. JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY 327, 1105–1112. https://doi.org/10.1007/s10967-020-07586-8
• Hou J., Weng X.-J., Oganov A.R., Shao X., Gao G., Dong X., Wang H.-T., Tian Y., Zhou X.-F., 2021. Helium-Nitrogen Mixtures at High Pressure. PHYSICAL REVIEW B 103(6), L060102. https://doi.org/10.1103/PhysRevB.103.L060102
• Semenok D.V., Zhou D., Kvashnin A.G., Huang X., Galasso M., Kruglov I.A., Ivanova A.G., Gavriliuk A.G., Chen W., Tkachenko N.V., Boldyrev A.I., Troyan I., Oganov A.R., Cui T., 2021. Novel Strongly Correlated Europium Superhydrides. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 12(1), 32–40. https://doi.org/10.1021/acs.jpclett.0c03331
• Mazitov A.B., Oganov A.R., 2021. Grain Boundaries in Minerals: Atomic Structure, Phase Transitions, and Effect on Strength of Polycrystals. PROCEEDINGS OF THE RUSSIAN MINERALOGICAL SOCIETY 150(5), 92–102. https://doi.org/10.31857/S086960552105004X
• Samtsevich A.I., Oganov A.R., 2021. Mechanisms of Phase Transitions between Al₂SiO₅ Polymorphs. PROCEEDINGS OF THE RUSSIAN MINERALOGICAL SOCIETY 150(5), 79–91. https://doi.org/10.31857/S0869605521050051
• Wang Y., Glazyrin K., Roizen V., Oganov A.R., Chernyshov I., Zhang X., Greenberg E., Prakapenka V.B., Yang X., Jiang S.-Q., Goncharov A.F., 2020. Novel Hydrogen Clathrate Hydrate. PHYSICAL REVIEW LETTERS 125(25), 255702. https://doi.org/10.1103/PhysRevLett.125.255702
• Allahyari Z., Oganov A.R., 2020. Author Correction: Coevolutionary Search for Optimal Materials in the Space of All Possible Compounds (NPJ Computational Materials, 2020. 6(1), 55). NPJ COMPUTATIONAL MATERIALS 6(1), 105. https://doi.org/10.1038/s41524-020-00381-9
• Cherednichenko K.A., Mukhanov V.A., Wang Z., Oganov A.R., Kalinko A., Dovgaliuk I., Solozhenko V.L., 2020. Discovery of New Boron-Rich Chalcogenides: Orthorhombic B₆X (X=S, Se). SCIENTIFIC REPORTS 10(1), 9277. https://doi.org/10.1038/s41598-020-66316-y
• Allahyari Z., Oganov A.R., 2020. Coevolutionary Search for Optimal Materials in the Space of All Possible Compounds. NPJ COMPUTATIONAL MATERIALS 6(1), 55. https://doi.org/10.1038/s41524-020-0322-9
• Allahyari Z., Oganov A.R., 2020. Nonempirical Definition of the Mendeleev Numbers: Organizing the Chemical Space. JOURNAL OF PHYSICAL CHEMISTRY C 124(43), 23867–23878. https://doi.org/10.1021/acs.jpcc.0c07857
• Chen W., Semenok D.V., Troyan I.A., Ivanova A.G., Huang X., Oganov A.R., Cui T., 2020. Superconductivity and Equation of State of Lanthanum at Megabar Pressures. PHYSICAL REVIEW B 102(13), 134510. https://doi.org/10.1103/PhysRevB.102.134510
• Novoselov D.Y., Korotin D.M., Shorikov A.O., Oganov A.R., Anisimov V.I., 2020. Weak Coulomb Correlations Stabilize the Electride High-Pressure Phase of Elemental Calcium. JOURNAL OF PHYSICS CONDENSED MATTER 32(44), 445501. https://doi.org/10.1088/1361-648X/ab99ed
• Broadway D.A. Scholten S.C. Tan C. Dontschuk N. Lillie S.E. Johnson B.C. Zheng G. Wang Z. Oganov A.R. et al., 2020. Imaging Domain Reversal in an Ultrathin Van Der Waals Ferromagnet. ADVANCED MATERIALS 32(39), 2003314. https://doi.org/10.1002/adma.202003314
• Ostanin I.A., Oganov A.R., Magnanimo V., 2020. Collapse Modes in Simple Cubic and Body-Centered Cubic Arrangements of Elastic Beads. PHYSICAL REVIEW E 102(3), 032901. https://doi.org/10.1103/PhysRevE.102.032901
• Shorikov A.O. Skornyakov S.L. Anisimov V.I. Oganov A.R., 2020. Electronic Correlations in Uranium Hydride UH₅ under Pressure. JOURNAL OF PHYSICS CONDENSED MATTER 32(38), 385602. https://doi.org/10.1088/1361-648X/ab95cb
• Zhu S.-C., Yan X.-Z., Liu J., Oganov A.R., Zhu Q., 2020. A Revisited Mechanism of the Graphite-to-Diamond Transition at High Temperature. MATTER 3(3), 864–878. https://doi.org/10.1016/j.matt.2020.05.013
• Kvashnin A.G., Tantardini C., Zakaryan H.A., Kvashnina Y.A., Oganov A.R., 2020. Computational Search for New W-Mo-B Compounds. CHEMISTRY OF MATERIALS 32(16), 7028–7035. https://doi.org/10.1021/acs.chemmater.0c02440
• Miao N., Wang J., Gong Y., Wu J., Niu H., Wang S., Li K., Oganov A.R., Tada T., Hosono H., 2020. Computational Prediction of Boron-Based MAX Phases and MXene Derivatives. CHEMISTRY OF MATERIALS 32(16), 6947–6957. https://doi.org/10.1021/acs.chemmater.0c02139
• Mazhnik E., Oganov A.R., 2020. Application of Machine Learning Methods for Predicting New Superhard Materials. JOURNAL OF APPLIED PHYSICS 128(7), 075102. https://doi.org/10.1063/5.0012055
• Pakhnova M., Kruglov I., Yanilkin A., Oganov A.R., 2020. Search for Stable Cocrystals of Energetic Materials Using the Evolutionary Algorithm USPEX. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 22(29), 16822–16830. https://doi.org/10.1039/d0cp03042b
• Kvashnin A.G., Rybkovskiy D.V., Filonenko V.P., Bugakov V.I., Zibrov I.P., Brazhkin V.V., Oganov A.R., Osiptsov A.A., Zakirov A.Y., 2020. WB_5−x: Synthesis, Properties, and Crystal Structure – New Insights into the Long-Debated Compound. ADVANCED SCIENCE 7(16), 2000775. https://doi.org/10.1002/advs.202000775
• Fan T., Oganov A.R., 2020. AICON: A Program for Calculating Thermal Conductivity Quickly and Accurately. COMPUTER PHYSICS COMMUNICATIONS 251, 107074. https://doi.org/10.1016/j.cpc.2019.107074
• Tikhomirova K.A., Tantardini C., Sukhanova E.V., Popov Z.I., Evlashin S.A., Tarkhov M.A., Zhdanov V.L., Dudin A.A., Oganov A.R., Kvashnin D.G., Kvashnin A.G., 2020. Exotic Two-Dimensional Structure: The First Case of Hexagonal NaCl. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11(10), 3821–3827. https://doi.org/10.1021/acs.jpclett.0c00874
• Salke N.P., Davari Esfahani M.M., Yedukondalu N., Zhang Y., Kruglov I.A., Zhou J., Greenberg E., Prakapenka V.B., Liu J., Oganov A.R., Lin J.-F., 2020. Prediction and Synthesis of Dysprosium Hydride Phases at High Pressure. INORGANIC CHEMISTRY 59(8), 5303–5312. https://doi.org/10.1021/acs.inorgchem.9b03078
• Rybkovskiy D.V., Kvashnin A.G., Kvashnina Y.A., Oganov A.R., 2020. Structure, Stability, and Mechanical Properties of Boron-Rich Mo-B Phases: A Computational Study. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 11(7), 2393–2401. https://doi.org/10.1021/acs.jpclett.0c00242
• Zhang J., McMahon J.M., Oganov A.R., Li X., Dong X., Dong H., Wang S., 2020. High-Temperature Superconductivity in the Ti-H System at High Pressures. PHYSICAL REVIEW B 101(13), 134108. https://doi.org/10.1103/PhysRevB.101.134108
• Semenok D.V., Kruglov I.A., Savkin I.A., Kvashnin A.G., Oganov A.R., 2020. On Distribution of Superconductivity in Metal Hydrides. CURRENT OPINION IN SOLID STATE AND MATERIALS SCIENCE 24(2), 100808. https://doi.org/10.1016/j.cossms.2020.100808
• Semenok D.V., Kvashnin A..G, Ivanova A.G., Svitlyk V., Fominski V.Y., Sadakov A.V., Sobolevskiy O.A., Pudalov V.M., Troyan I.A., Oganov A.R., 2020. Superconductivity at 161 K in Thorium Hydride ThH₁₀: Synthesis and Properties. MATERIALS TODAY 33, 36–44. https://doi.org/10.1016/j.mattod.2019.10.005
• Zhou D., Semenok D.V., Xie H., Huang X., Duan D., Aperis A., Oppeneer P.M., Galasso M., Kartsev A.I., Kvashnin A.G., Oganov A.R., Cui T., 2020. High-Pressure Synthesis of Magnetic Neodymium Polyhydrides. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 142(6), 2803–2811. https://doi.org/10.1021/jacs.9b10439
• Kruglov I.A., Semenok D.V., Song H., Szczȩśniak R., Wrona I.A., Akashi R., Davari Esfahani M.M., Duan D., Cui T., Kvashnin A.G., Oganov A.R., 2020. Superconductivity of LaH₁₀ and LaH₁₆ Polyhydrides. PHYSICAL REVIEW B 101(2), 024508. https://doi.org/10.1103/PhysRevB.101.024508
• Zhou D., Semenok D.V., Duan D., Xie H., Chen W., Huang X., Li X., Liu B., Oganov A.R., Cui T., 2020. Superconducting Praseodymium Superhydrides. SCIENCE ADVANCES 6(9), eaax6849. https://doi.org/10.1126/sciadv.aax6849
• Kvashnin A.G., Kvashnin D.G., Oganov A.R., 2019. Novel Unexpected Reconstructions of (100) and (111) Surfaces of NaCl: Theoretical Prediction. SCIENTIFIC REPORTS 9(1), 14267. https://doi.org/10.1038/s41598-019-50548-8
• Salke N.P., Davari Esfahani M.M., Zhang Y., Kruglov I.A., Zhou J., Wang Y., Greenberg E., Prakapenka V.B., Liu J., Oganov A.R., Lin J.-F., 2019. Synthesis of Clathrate Cerium Superhydride CEH9 at 80–100 GPa with Atomic Hydrogen Sublattice. NATURE COMMUNICATIONS 10(1), 4453. https://doi.org/10.1038/s41467-019-12326-y
• Kruglov I.A., Yanilkin A., Oganov A.R., Korotaev P., 2019. Phase Diagram of Uranium from ab Initio Calculations and Machine Learning. PHYSICAL REVIEW B 100(17), 174104. https://doi.org/10.1103/PhysRevB.100.174104
• Dong X., Hou J., Kong J., Cui H., Li Y.-L., Oganov A.R., Li K., Zheng H., Zhou X.-F., Wang H.-T., 2019. Predicted Lithium Oxide Compounds and Superconducting Low-Pressure LiO₄. PHYSICAL REVIEW B 100(14), 144104. https://doi.org/10.1103/PhysRevB.100.144104
• Semenok D., Oganov A.R., 2019. Measuring the Meissner Effect at Megabar Pressures. NATIONAL SCIENCE REVIEW 6(5), 856. https://doi.org/10.1093/nsr/nwz094
• Mazhnik E., Oganov A.R., 2019. A Model of Hardness and Fracture Toughness of Solids. JOURNAL OF APPLIED PHYSICS 126(12), 125109. https://doi.org/10.1063/1.5113622
• Naumova A.S., Lepeshkin S.V., Oganov A.R., 2019. Hydrocarbons under Pressure: Phase Diagrams and Surprising New Compounds in the C-H System. JOURNAL OF PHYSICAL CHEMISTRY C 123(33), 20497–20501. https://doi.org/10.1021/acs.jpcc.9b01353
• Kvashnin A.G., Allahyari Z., Oganov A.R., 2019. Computational Discovery of Hard and Superhard Materials. JOURNAL OF APPLIED PHYSICS 126(4), 040901. https://doi.org/10.1063/1.5109782
• Xie C., Zhang Q., Zakaryan H.A., Wan H., Liu N., Kvashnin A.G., Oganov A.R., 2019. Stable and Hard Hafnium Borides: A First-Principles Study. JOURNAL OF APPLIED PHYSICS 125(20), 205109. https://doi.org/10.1063/1.5092370
• Zhu M.-H., Weng X.-J., Gao G., Dong S., Lin L.-F., Wang W.-H., Zhu Q., Oganov A.R., Dong X., Tian Y., Zhou X.-F., Wang H.-T., 2019. Magnetic Borophenes from an Evolutionary Search. PHYSICAL REVIEW B 99(20), 205412. https://doi.org/10.1103/PhysRevB.99.205412
• Oganov A.R., Pickard C.J., Zhu Q., Needs R.J., 2019. Structure Prediction Drives Materials Discovery. NATURE REVIEWS MATERIALS 4(5), 331–348. https://doi.org/10.1038/s41578-019-0101-8
• Novoselov D.Y., Korotin D.M., Shorikov A.O., Oganov. R., Anisimov V.I., 2019. Interplay between the Coulomb Interaction and Hybridization in Ca and Anomalous Pressure Dependence of the Resistivity. JETP LETTERS 109(6), 387–391. https://doi.org/10.1134/S0021364019060043
• Bushlanov P.V., Blatov V.A., Oganov A.R., 2019. Topology-Based Crystal Structure Generator. COMPUTER PHYSICS COMMUNICATIONS 236, 1–7. https://doi.org/10.1016/j.cpc.2018.09.016
• Podryabinkin E.V., Tikhonov E.V., Shapeev A.V., Oganov A.R., 2019. Accelerating Crystal Structure Prediction by Machine-Learning Interatomic Potentials with Active Learning. PHYSICAL REVIEW B 99(6), 064114. https://doi.org/10.1103/PhysRevB.99.064114
• Niu H., Niu S., Oganov A.R., 2019. Simple and Accurate Model of Fracture Toughness of Solids. JOURNAL OF APPLIED PHYSICS 125(6), 065105. https://doi.org/10.1063/1.5066311
• Dong B., Wang Z., Hung N.T., Oganov A.R., Yang T., Saito R., Zhang Z., 2019. New Two-Dimensional Phase of Tin Chalcogenides: Candidates for High-Performance Thermoelectric Materials. PHYSICAL REVIEW MATERIALS 3(1), 013405. https://doi.org/10.1103/PhysRevMaterials.3.013405
• Lepeshkin S.V., Baturin V.S., Uspenskii Y.A., Oganov A.R., 2019. Method for Simultaneous Prediction of Atomic Structure and Stability of Nanoclusters in a Wide Area of Compositions. JOURNAL OF PHYSICAL CHEMISTRY LETTERS 10(1), 108–106. https://doi.org/10.1021/acs.jpclett.8b03510
• Yu X., Oganov A.R., Zhu Q., Qi F., Qian G., 2019. Correction: The Stability and Unexpected Chemistry of Oxide Clusters (Physical Chemistry Chemical Physics (2018) 20, 30437–30444. PHYSICAL CHEMISTRY CHEMICAL PHYSICS 21(3), 1623. https://doi.org/10.1039/c8cp91942a