Sergey V. Levchenko

Skolkovo Institute of Science and Technology — Russia

Physics and Astronomy · Physical Sciences

30h-index11.0kcitations167works2.92yr avg
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Research Topics

Advanced Chemical Physics Studies(36), Catalytic Processes in Materials Science(32), Machine Learning in Materials Science(31), Catalysis and Oxidation Reactions(15), Electronic and Structural Properties of Oxides(14)

Publications166 total

Structural Evolution of Rutile <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi>TiO</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> <mml:mo stretchy="false">(</mml:mo> <mml:mn>110</mml:mn> <mml:mo stretchy="false">)</mml:mo> <mml:mtext>−</mml:mtext> <mml:mo stretchy="false">(</mml:mo> <mml:mn>1</mml:mn> <mml:mo>×</mml:mo> <mml:mn>2</mml:mn> <mml:mo stretchy="false">)</mml:mo> </mml:mrow> </mml:math> Reconstruction Driven by Oxygen-Promoted Titanium Migration
Physical Review Letters·2025
First-principles data-driven approach for assessment of stability of Tc-C systems
Acta Materialia·2025· 1 cited
Theoretical study of configurational disorder effects on magnetic structure and electronic properties of mixed-metal Ruddlesden-Popper oxide LaSrCo <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si40.svg" display="inline" id="d1e632"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>1</mml:mn> <mml:mo>/</mml:mo> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> Fe <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si40.svg" display="inline" id="d1e644"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>1</mml:mn> <mml:mo>/</mml:mo> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> </mml:math> O <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si42.svg" display="inline" id="d1e656"> <mml:msub> <mml:mrow/> <mml:mrow> <mml:mn>4</mml:mn> </mml:mrow> </mml:msub> </mml:math>
Next Materials·2025Open Access
Advancing the understanding and prediction accuracy of molecular adsorption energy with artificial intelligence
Physical review. B./Physical review. B·2025· 1 cited
On the eve of the invasion. Formation of an offensive group of the Armed Forces of the Russian Federation near the borders of Ukraine (2020-2022)
Codrul Cosminului·2025Open Access
Unveiling the physical mechanisms underpinning bandgap variations in chalcopyrite crystals (ABX<sub>2</sub>) using interpretable artificial intelligence
Chemical Communications·2025Open Access
Synthesis and properties of a meta-stable modification of metallic technetium
SSRN Electronic Journal·2025Open Access
Influence of atomic configuration on electronic and magnetic properties of complex Ruddlesden-Popper oxides La2−xSrxCo1/2Fe1/2O4
Scientific Reports·2024· 1 citedOpen Access
Exploring the dielectric function of platinum
Physical review. B./Physical review. B·2024· 2 cited
Quantum modelling of magnetism in strongly correlated materials: Evaluating constrained DFT and the Hubbard model for Y114
Computational Materials Science·2024· 3 cited
Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C2H2 and C2H4 on transition-metal surfaces
2024Open Access
Antiferromagnetism, superparamagnetism, and effects of A-cation distribution on magnetic properties of LaSrFeO<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si41.svg" display="inline" id="d1e346"><mml:msub><mml:mrow/><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msub></mml:math> Ruddlesden–Popper oxides: A combined experimental and theoretical study
Physica B Condensed Matter·2024· 1 cited
Material hardness descriptor derived by symbolic regression
Journal of Computational Science·2024· 10 citedOpen Access
Influence of atomic configuration on electronic properties of complex transition-metal oxides: Case study of Ruddlesden-Popper oxides La2-xSrxCo1/2Fe1/2O4
2024Open Access
Magnetic structure and electronic properties of mixed-metal Ruddlesden-Popper oxide LaSrCo$_{1/2}$Fe$_{1/2}$O$_4$
arXiv (Cornell University)·2024· 1 citedOpen Access
Interpretable Data‐Driven Descriptors for Establishing the Structure‐Activity Relationship of Metal–Organic Frameworks Toward Oxygen Evolution Reaction
Angewandte Chemie International Edition·2024· 46 citedOpen Access
Interpretable Data‐Driven Descriptors for Establishing the Structure‐Activity Relationship of Metal–Organic Frameworks Toward Oxygen Evolution Reaction
Angewandte Chemie·2024· 3 cited
Assessment of mBEEF and RPBE exchange-correlation functionals for describing the adsorption of C2H2 and C2H4 on transition-metal surfaces
2024· 1 citedOpen Access
Assessment of mBEEF and RPBE exchange-correlation functionals for describing the adsorption of C2H2 and C2H4 on transition-metal surfaces
2024
Quantum Modelling of Magnetism in Strongly Correlated Materials: Evaluating Constrained DFT and the Hubbard Model for Y114
arXiv (Cornell University)·2024Open Access
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Frequent Co-authors

Matthias Scheffler(14), Anna I. Krylov(9), Luca M. Ghiringhelli(8), Zhongkang Han(7), Hans‐Joachim Freund(5), Xunhua Zhao(5), Robert A. DiStasio(4), Aliaksei Mazheika(4), Robert Schlögl(4), Niklas Nilius(4), Claudia Draxl(3), Debalaya Sarker(3), H. Reisler(3), Andrew M. Rappe(3), Saswata Bhattacharya(3), H. Kuhlenbeck(3), Yihan Shao(2), Andrew T. B. Gilbert(2), Jörg Kußmann(2), Emil Proynov(2)