Sergey V. Levchenko, Ph.D.

Skolkovo Institute of Science and Technology 
Computational Studies of Electronic Structure and Spectroscopy of Open-Shell and Electronically Excited Species
"Sergey Levchenko"
Mean distance: 9.38


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Anna I. Krylov grad student 2005 USC
 (Equation -of -motion coupled -cluster model with single and double substitutions: Theory and applications.)
Andrew M. Rappe post-doc 2005-2008 Penn
Matthias Scheffler research scientist 2008-2018 Fritz Haber Institute of the Max Planck Society (Physics Tree)
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Foppa L, Purcell TAR, Levchenko SV, et al. (2022) Hierarchical Symbolic Regression for Identifying Key Physical Parameters Correlated with Bulk Properties of Perovskites. Physical Review Letters. 129: 055301
Mazheika A, Wang YG, Valero R, et al. (2022) Artificial-intelligence-driven discovery of catalyst genes with application to CO activation on semiconductor oxides. Nature Communications. 13: 419
Debnath T, Sarker D, Huang H, et al. (2021) Coherent vibrational dynamics reveals lattice anharmonicity in organic-inorganic halide perovskite nanocrystals. Nature Communications. 12: 2629
Han ZK, Sarker D, Ouyang R, et al. (2021) Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence. Nature Communications. 12: 1833
Bagus PS, Nelin CJ, Levchenko SV, et al. (2019) Surface core level BE shifts for CaO(100): insights into physical origins. Physical Chemistry Chemical Physics : Pccp
Millet MM, Algara-Siller G, Wrabetz S, et al. (2019) Ni single atom catalysts for CO2 activation. Journal of the American Chemical Society
Zhang IY, Logsdail AJ, Ren X, et al. (2019) Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations New Journal of Physics. 21: 013025
Schewski R, Lion K, Fiedler A, et al. (2019) Step-flow growth in homoepitaxy of β-Ga2O3 (100)—The influence of the miscut direction and faceting Apl Materials. 7: 022515
Andersen M, Levchenko SV, Scheffler M, et al. (2019) Beyond Scaling Relations for the Description of Catalytic Materials Acs Catalysis. 9: 2752-2759
Miyazaki R, Nakatani N, Levchenko SV, et al. (2019) DFT Mechanistic Study on the Complete Oxidation of Ethylene by the Silica-Supported Pt Catalyst: C═C Activation via the Ethylene Dioxide Intermediate Journal of Physical Chemistry C
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