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Sergey V. Levchenko
Sergey V. Levchenko
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia
Verified email at skoltech.ru
Title
Cited by
Cited by
Year
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
30112015
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
29362006
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
8902015
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
3572004
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
3082019
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
2752011
Femtosecond multidimensional imaging of a molecular dissociation
O Ge▀ner, AMD Lee, JP Shaffer, H Reisler, SV Levchenko, AI Krylov, ...
Science 311 (5758), 219-222, 2006
216*2006
Beyond scaling relations for the description of catalytic materials
M Andersen, SV Levchenko, M Scheffler, K Reuter
Acs Catalysis 9 (4), 2752-2759, 2019
1922019
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
1892013
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
1722015
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
1422010
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
1402017
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
1392013
Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces
SV Levchenko, AM Rappe
Physical review letters 100 (25), 256101, 2008
1252008
Discovery of quantitative electronic structure‐OER activity relationship in metal‐organic framework electrocatalysts using an integrated theoretical‐experimental approach
J Zhou, Z Han, X Wang, H Gai, Z Chen, T Guo, X Hou, L Xu, X Hu, ...
Advanced Functional Materials 31 (33), 2102066, 2021
1212021
Single-atom alloy catalysts designed by first-principles calculations and artificial intelligence
ZK Han, D Sarker, R Ouyang, A Mazheika, Y Gao, SV Levchenko
Nature communications 12 (1), 1833, 2021
1172021
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), 2005
1022005
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), 2019
1002019
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), 46, 2017
982017
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
922013
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