Publications of Sergey V. Levchenko
All genres
Talk (55)
2015
Talk
Water on MgO(001) and CaO(001) – monolayers, ice, hydroxylation. 114th General Assembly of the German Bunsen Society for Physical Chemistry, Bochum, Germany (2015)
Talk
Activation of Small Molecules at Ni-doped MgO Surfaces: An ab initio Study. FHI-Workshop on Current Research Topics at the FHI, Potsdam, Germany (2015)
2014
Talk
Adsorbate-Adsorbate Interactions on Surfaces at realistic conditions: A first-principles study. CRC Symposium, FHI , Berlin, Germany (2014)
Talk
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 (2014)
2013
Talk
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 (2013)
Talk
Beyond DFT for periodic systems. Workshop on Density functional theory and beyond: Computational materials science for real materials, Trieste, Italy (2013)
Talk
First-principles description of oxides at realistic conditions: Defects and clusters. UniCat meeting on Oxidative coupling of methane, Berlin, Germany (2013)
2012
Talk
Theoretical Study of Chemical Surface Reactions. 2nd Surface Science School on Technology and Measurements at the Atomic Scale (SSS-TMAS II), Sochi, Russia (2012)
Talk
Electronic structure and thermodynamics of Li/MgO (100) and (111) surfaces. 243rd ACS National Spring Meeting, San Diego, CA, USA (2012)
2011
Talk
From Electronic Structure to Dynamics, Thermodynamics, and Reaction Kinetics: Multiscale Modelling of Materials and Interfaces. BIG-NSE Initial Phase WS 2011, Berlin, Germany (2011)
Working Paper (2)
2019
Working Paper
Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces. (2019)
2016
Working Paper
Towards a Common Format for Computational Materials Science Data. Psi-k Scientific Highlight Of The Month (131) pp. 1 - 16 (2016), 16 pp.