Sergey V. Levchenko
Sergey V. Levchenko
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia
Verified email at skoltech.ru
TitleCited byYear
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
24532006
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
13972015
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
3532015
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
2642004
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
178*2006
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
1642011
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
1342013
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
1042010
Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces
SV Levchenko, AM Rappe
Physical review letters 100 (25), 256101, 2008
922008
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
912013
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
832005
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
732015
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
662013
124 Bibliography PA Pieniazek, YM Rhee, J
Y Shao, L Fusti-Molnar, Y Jung, J Kussman, C Ochsenfeld, ST Brown, ...
Ritchie, E. Rosta, CD Sherrill, AC Simmonett, JE Subotnik, HL Woodcock IIIá…, 2006
582006
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
542017
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2006
392006
Rigorous definition of oxidation states of ions in solids
L Jiang, SV Levchenko, AM Rappe
Physical review letters 108 (16), 166403, 2012
372012
Photodissociation dynamics of the NO dimer. I. Theoretical overview of the ultraviolet singlet excited states
SV Levchenko, H Reisler, AI Krylov, O Gessner, A Stolow, H Shi, ALL East
The Journal of chemical physics 125 (8), 084301, 2006
342006
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
332014
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
292017
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