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Sergey V. Levchenko
Sergey V. Levchenko
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia
Bestätigte E-Mail-Adresse bei skoltech.ru
Titel
Zitiert von
Zitiert von
Jahr
Advances in methods and algorithms in a modern quantum chemistry program package
Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006
27902006
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ...
Molecular Physics 113 (2), 184-215, 2015
26312015
Big data of materials science: critical role of the descriptor
LM Ghiringhelli, J Vybiral, SV Levchenko, C Draxl, M Scheffler
Physical review letters 114 (10), 105503, 2015
7332015
Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene
SV Levchenko, AI Krylov
The Journal of chemical physics 120 (1), 175-185, 2004
3302004
A critical assessment of Li/MgO-based catalysts for the oxidative coupling of methane
S Arndt, G Laugel, S Levchenko, R Horn, M Baerns, M Scheffler, ...
Catalysis Reviews 53 (4), 424-514, 2011
2352011
Ni Single Atom Catalysts for CO2 Activation
MM Millet, G Algara-Siller, S Wrabetz, A Mazheika, F Girgsdies, ...
Journal of the American Chemical Society 141 (6), 2451-2461, 2019
2072019
Femtosecond multidimensional imaging of a molecular dissociation
O Gessner, AMD Lee, JP Shaffer, H Reisler, SV Levchenko, AI Krylov, ...
Science 311 (5758), 219-222, 2006
203*2006
Many‐body dispersion interactions in molecular crystal polymorphism
N Marom, RA DiStasio Jr, V Atalla, S Levchenko, AM Reilly, ...
Angewandte Chemie International Edition 52 (26), 6629-6632, 2013
1712013
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework
SV Levchenko, X Ren, J Wieferink, R Johanni, P Rinke, V Blum, ...
Computer Physics Communications 192, 60-69, 2015
1342015
Beyond scaling relations for the description of catalytic materials
M Andersen, SV Levchenko, M Scheffler, K Reuter
ACS Catalysis 9 (4), 2752-2759, 2019
1312019
Temperature‐dependent morphology, magnetic and optical properties of Li‐doped MgO
P Myrach, N Nilius, SV Levchenko, A Gonchar, T Risse, KP Dinse, ...
ChemCatChem 2 (7), 854-862, 2010
1252010
Learning physical descriptors for materials science by compressed sensing
LM Ghiringhelli, J Vybiral, E Ahmetcik, R Ouyang, SV Levchenko, C Draxl, ...
New Journal of Physics 19 (2), 023017, 2017
1232017
Concentration of vacancies at metal-oxide surfaces: Case study of MgO (100)
NA Richter, S Sicolo, SV Levchenko, J Sauer, M Scheffler
Physical review letters 111 (4), 045502, 2013
1202013
Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces
SV Levchenko, AM Rappe
Physical review letters 100 (25), 256101, 2008
1162008
Analytic gradients for the spin-conserving and spin-flipping equation-of-motion coupled-cluster models with single and double substitutions
SV Levchenko, T Wang, AI Krylov
The Journal of chemical physics 122 (22), 224106, 2005
992005
Stability and Metastability of Clusters in a Reactive Atmosphere: Theoretical Evidence for Unexpected Stoichiometries of
S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler
Physical review letters 111 (13), 135501, 2013
872013
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats
LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ...
npj Computational Materials 3 (1), 1-9, 2017
752017
Step-flow growth in homoepitaxy of β-Ga2O3 (100)—The influence of the miscut direction and faceting
R Schewski, K Lion, A Fiedler, C Wouters, A Popp, SV Levchenko, ...
Apl Materials 7 (2), 022515, 2019
672019
Rigorous definition of oxidation states of ions in solids
L Jiang, SV Levchenko, AM Rappe
Physical Review Letters 108 (16), 166403, 2012
542012
Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms
S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler
New Journal of Physics 16 (12), 123016, 2014
512014
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