Publikationen von Sergey V. Levchenko
Alle Typen
Zeitschriftenartikel (35)
21.
Zeitschriftenartikel
192, S. 60 - 69 (2015)
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework. Computer Physics Communications 22.
Zeitschriftenartikel
91 (19), 195305 (2015)
Defect complexes in Li-doped MgO. Physical Review B 23.
Zeitschriftenartikel
55, S. 153 - 156 (2015)
Strengthening gold-gold bonds by complexing gold clusters with noble gases. Inorganic Chemistry Communications 24.
Zeitschriftenartikel
6 (7), S. 1204 - 1208 (2015)
Formation of Water Chains on CaO(001): What Drives the 1D Growth? The Journal of Physical Chemistry Letters 25.
Zeitschriftenartikel
114 (10), 105503 (2015)
Big Data of Materials science: Critical Role of the Descriptor. Physical Review Letters 26.
Zeitschriftenartikel
16 (12), 123016 (2014)
Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms. New Journal of Physics 27.
Zeitschriftenartikel
320, S. 89 - 96 (2014)
Controlling CH2 dissociation on Ru(0001) through surface site blocking by adsorbed hydrogen. Journal of Catalysis 28.
Zeitschriftenartikel
111 (13), 135501 (2013)
Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMOx. Physical Review Letters 29.
Zeitschriftenartikel
111 (4), 045502 (2013)
Concentration of Vacancies at Metal Oxide Surfaces: Case Study of MgO(100). Physical Review Letters 30.
Zeitschriftenartikel
52 (26), S. 6629 - 6632 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie International Edition 31.
Zeitschriftenartikel
125 (26), S. 6761 - 6764 (2013)
Many-Body Dispersion Interactions in Molecular Crystal Polymorphism. Angewandte Chemie 32.
Zeitschriftenartikel
85 (15), 155409 (2012)
AuN clusters (N = 1–6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies. Physical review / B 33.
Zeitschriftenartikel
85, 155409 (2012)
AuN clusters (N=1-6) supported on MgO(100) surfaces: Effect of exact exchange and dispersion interactions on adhesion energies. Physical Review B 34.
Zeitschriftenartikel
53 (4), S. 424 - 514 (2011)
A Critical Assessment of Li/MgO-Based Catalysts for the Oxidative Coupling of Methane. Catalysis Reviews: Science and Engineering 35.
Zeitschriftenartikel
2 (7), S. 854 - 862 (2010)
Temperature-Dependent Morphology, Magnetic and Optical Properties of Li-Doped MgO. ChemCatChem: heterogeneous & homogeneous & bio-catalysis Vortrag (55)
36.
Vortrag
Modelling Materials at Realistic Temperatures and Pressures. VI International Conference of Young Scientists 2021, Moscow, Russia (2021)
37.
Vortrag
Computational Design of Materials for Heterogeneous Catalysis. 20th Workshop on Crystal Structure Prediction With USPEX Code (20th Lyakhov school), Online Event (2021)
38.
Vortrag
Deriving Descriptors and Physical Understanding From Data in Catalysis Research. 2021 AIChE Annual Meeting, Online Event (2021)
39.
Vortrag
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 (2021)
40.
Vortrag
Using the Data-Mining Approach Subgroup Discovery for Understanding Mechanisms of Catalytic Reactions. FHI Theory Department ML Journal Club, Online Event (2021)