Publications of Sergey V. Levchenko

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
Sterrer, Martin, Yuichi Fujimori, Xunhua Zhao, Sergey V. Levchenko, Matthias Scheffler, Xiang Shao, N. Nilius 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, Rosendo Valero, Luca M. Ghiringhelli, Francesc Vines, Francesc Illas, 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, Georg Huhs, Martin Lüders, Micael Oliveira and Matthias Scheffler: Towards a Common Format for Computational Materials Science Data.
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