دنبال کردن
Sergey V. Levchenko
Sergey V. Levchenko
Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia
ایمیل تأیید شده در skoltech.ru
عنوان
نقل شده توسط
نقل شده توسط
سال
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
32032015
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
30072006
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
9622015
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
3682004
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
3452019
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
2862011
Beyond scaling relations for the description of catalytic materials
M Andersen, SV Levchenko, M Scheffler, K Reuter
Acs Catalysis 9 (4), 2752-2759, 2019
2222019
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
217*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
1982013
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
1942015
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
1682021
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
1532017
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
1472010
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
1432013
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
1402021
Influence of Ferroelectric Polarization on the Equilibrium Stoichiometry<? format?> of Lithium Niobate (0001) Surfaces
SV Levchenko, AM Rappe
Physical review letters 100 (25), 256101, 2008
1372008
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
1192019
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
1072017
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
1042005
Stability and Metastability of Clusters in a Reactive Atmosphere: <?format ?>Theoretical Evidence for Unexpected Stoichiometries of
S Bhattacharya, SV Levchenko, LM Ghiringhelli, M Scheffler
Physical review letters 111 (13), 135501, 2013
962013
سیستم در حال حاضر قادر به انجام عملکرد نیست. بعداً دوباره امتحان کنید.
مقاله‌ها 1–20