Sergey V. Levchenko
Sergey V. Levchenko
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia
Verified email at
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
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
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
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
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
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
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
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
Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces
SV Levchenko, AM Rappe
Physical review letters 100 (25), 256101, 2008
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
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
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
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
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
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
Q-Chem, version 3.0. Q-chem
Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ...
Inc.: Pittsburgh, PA, 2006
Rigorous definition of oxidation states of ions in solids
L Jiang, SV Levchenko, AM Rappe
Physical review letters 108 (16), 166403, 2012
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
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
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
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Articles 1–20