Publications of Sergey V. Levchenko
All genres
Talk (55)
2015
Talk
Levchenko, Sergey V.: Accurate and Efficient Calculation of Electron-Repulsion Integrals.
(CECAM Workshop, Big Data of Materials Science - Critical Next Steps, Lausanne, Switzerland, Nov 2015).
Talk
Yuichi Fujimori, Xunhua Zhao, Sergey V. Levchenko, Matthias Scheffler, Xiang Shao, and Hans-Joachim Freund: , Water on MgO(001) and CaO(001) – monolayers, ice, hydroxylation.
(114th General Assembly of the German Bunsen Society for Physical Chemistry, Bochum, Germany, May 2015).
2014
Talk
Levchenko, Sergey V.: Adsorbate-Adsorbate Interactions on Surfaces at realistic conditions: A first-principles study.
(CRC Symposium, FHI , Berlin, Germany, Oct 2014).
Talk
Levchenko, Sergey V. and Luca M. Ghiringhelli: Effects of Temperature, Pressure, and Doping On Stoichiometry and Atomic Structure of Materials: Bulk, surfaces, and Clusters.
(FHI-Workshop on Current Research Topics at the FHI
, Potsdam, Germany, May 2014).
2013
Talk
Levchenko, Sergey V.: Beyond DFT for periodic systems.
(Workshop on Density functional theory and beyond: Computational materials science for real materials, Trieste, Italy, Aug 2013).
Talk
Levchenko, Sergey V.: First-principles description of oxides at realistic conditions: Defects and clusters.
(UniCat meeting on Oxidative coupling of methane, Berlin, Germany, Jul 2013).
Talk
Levchenko, Sergey V.: Ab Initio Modelling of Defects at Semiconductor Surfaces: Doping as a Thermodynamic Factor.
(Seminar, Department of Mechanical Engineering and Materials Science, Duke University, Durham, NC, USA, Oct 2013).
2012
Talk
Levchenko, Sergey V.: Electronic structure and thermodynamics of Li/MgO (100) and (111) surfaces.
(243rd ACS National Spring Meeting, San Diego, CA, USA, Mar 2012).
Talk
Levchenko, Sergey V.: Theoretical Study of Chemical Surface Reactions.
(2nd Surface Science School on Technology and Measurements at the Atomic Scale (SSS-TMAS II), Sochi, Russia, Oct 2012).
2011
Talk
Levchenko, Sergey V.: From Electronic Structure to Dynamics, Thermodynamics, and Reaction Kinetics: Multiscale Modelling of Materials and Interfaces.
(BIG-NSE Initial Phase WS 2011, Berlin, Germany, Oct 2011).
Working Paper (2)
2019
Working Paper
Mazheika, Aliaksei, Yanggang Wang, , Luca M. Ghiringhelli, , , Sergey V. Levchenko and Matthias Scheffler: Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces.
2016
Working Paper
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards a Common Format for Computational Materials Science Data.