Publications of Sergey V. Levchenko
All genres
Journal Article (35)
2015
Journal Article
Ghiringhelli, Luca M. and Sergey V. Levchenko: Strengthening gold-gold bonds by complexing gold clusters with noble gases.
Journal Article
Ghiringhelli, Luca M., , Sergey V. Levchenko, and Matthias Scheffler: Big Data of Materials science: Critical Role of the Descriptor.
Journal Article
Levchenko, Sergey V., , Jürgen Wieferink, Patrick Rinke, , Matthias Scheffler and : Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework.
Journal Article
Richter, Norina, Fernando Stavale, Sergey V. Levchenko, Niklas Nilius, Hans-Joachim Freund and Matthias Scheffler: Defect complexes in Li-doped MgO.
Journal Article
Zhao, Xunhua, Xiang Shao, Yuichi Fujimori, Saswata Bhattacharya, Luca M. Ghiringhelli, Hans-Joachim Freund, Martin Sterrer, Niklas Nilius and Sergey V. Levchenko: Formation of Water Chains on CaO(001): What Drives the 1D Growth?
2014
Journal Article
Bhattacharya, Saswata, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms.
Journal Article
Kirsch, Harald, Xunhua Zhao, Zefeng Ren, Sergey V. Levchenko, Martin Wolf and R.Kramer Campen: Controlling CH2 dissociation on Ru(0001) through surface site blocking by adsorbed hydrogen.
2013
Journal Article
Bhattacharya, Saswata, Sergey V. Levchenko, Luca M. Ghiringhelli and Matthias Scheffler: Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMOx.
Journal Article
, , Viktor Atalla, Sergey V. Levchenko, Anthony Reilly, , and Alexandre Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
Journal Article
, , Viktor Atalla, Sergey V. Levchenko, Anthony Reilly, , and Alexandre Tkatchenko: Many-Body Dispersion Interactions in Molecular Crystal Polymorphism.
Journal Article
Richter, Norina, , Sergey V. Levchenko, and Matthias Scheffler: Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO(100).
2012
Journal Article
Paz Borbón, L.Oliver, , and Sergey V. Levchenko: AuN clusters (N = 1–6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies.
Journal Article
Paz-Borbón, Lauro Oliver, , and Sergey V. Levchenko: AuN clusters (N=1-6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies.
2011
Journal Article
, , Sergey V. Levchenko, Raimund Horn, Manfred Baerns, Matthias Scheffler, Robert Schlögl and : A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane.
2010
Journal Article
Myrach, Philipp, Niklas Nilius, Sergey V. Levchenko, Anastasia Gonchar, Thomas Risse, , , Wiebke Frandsen, Raimund Horn, Hans-Joachim Freund, Robert Schlögl and Matthias Scheffler: Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO.
Talk (55)
2021
Talk
Levchenko, Sergey V.: Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence.
(CECAM/Psi-k Flagship Workshop, Materials Design for Energy Storage and Conversion: Theory and Experiment, Online Event, Feb 2021).
Talk
Levchenko, Sergey V.: Using the Data-Mining Approach Subgroup Discovery for Understanding Mechanisms of Catalytic Reactions.
(FHI Theory Department ML Journal Club, Online Event, Feb 2021).
Talk
Levchenko, Sergey V.: Single-Atom Alloy Catalysts Designed by First-Principles Calculations and Artificial Intelligence.
(Electronic Materials and Applications 2021, Online Event, Jan 2021).
Talk
Levchenko, Sergey V.: Modelling Materials at Realistic Temperatures and Pressures.
(VI International Conference of Young Scientists 2021, Moscow, Russia, Nov 2021).
Talk
Levchenko, Sergey V.: Computational Design of Materials for Heterogeneous Catalysis.
(20th Workshop on Crystal Structure Prediction With USPEX Code (20th Lyakhov school), Online Event, Nov 2021).