Publications of Sergey V. Levchenko
All genres
Talk (55)
2017
Talk
CO2 Activation at Complex Oxide and Carbide Surfaces. FHI-Workshop on Current Research Topics at the FHI, Potsdam, Germany (2017)
Talk
Ab Initio Studies of the Effects of Doping on Surface Properties at Realistic Temperatures and Pressures. Colloquium, Skolkovo Institute of Science and Technology, Moscow, Russia (2017)
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First-Principles Modelling of Defects and Interfaces at Realistic Temperatures and Pressures. Colloquium, All-Russia Research Institute of Automatics (VNIIA), Moscow, Russia (2017)
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A Compressive-Sensing Approach to Finding Physically Meaningful Descriptors from Materials Data. International Workshop of Materials Informatics and Materials Data, National Institute for Materials Science (NIMS), Tsukubar, Japan (2017)
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Finding Physically Meaningful Descriptors for High-Throughput Computational Materials Design: Methods and Applications. Colloquium, National Institute for Materials Science (NIMS), Tsukubar, Japan (2017)
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Effects of Temperature, Pressure, and Charge-Carrier Doping on Surface Properties from First Principles. Colloquium, Kyoto University, Kyoto, Japan (2017)
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Search for Alternative Catalytic Materials. Example: CO2 Activation. Second NOMAD Industry Meeting, Hamburg, Germany (2017)
2016
Talk
First-Principles Modelling of Surfaces at Realistic Temperature, Pressure, and Doping Conditions. Colloquium, Department of Chemistry, Bar Ilan University, Ramat Gan, Israel (2016)
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Big Data Analytics for Heterogeneous Catalysis Design. The 2nd Hokkaido University-RIKEN - AIST Joint Symposium "Catalyst Informatics for Sustainable Society", Sapporo, Japan (2016)
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Ab Initio Modelling of Charge Carriers and Defects in the Bulk and at Surfaces of Doped MgO: Polarons, Charge Compensation, and Activation of Small Molecules. FHI-Workshop on Current Research Topics at the FHI, Potsdam, Germany (2016)
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DFT in Practice. Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan, Iran (2016)
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Periodic Structures. Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan, Iran (2016)
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Ab Initio Thermodynamics and Cluster Expansion. Hands-on workshop and Humboldt-Kolleg: Density-Functional Theory and Beyond - Basic Principles and Modern Insights, Isfahan, Iran (2016)
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Compact Representation of Scalar Fields: Density, Wavefunction, xc Potentials, etc. CECAM/Psi-k/NOMAD Workshop, Towards a Common Format for Computational Materials Science Datas, Lausanne, Switzerland (2016)
2015
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Accurate and Efficient Calculation of Electron-Repulsion Integrals. CECAM Workshop, Big Data of Materials Science - Critical Next Steps, Lausanne, Switzerland (2015)
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Defect-Defect Interaction at Surfaces and Interfaces at Realistic Conditions: Global Versus Local Effects of Doping. Psi-k 2015 Conference, San Sebastian, Spain (2015)
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Defects in Solids. Summer School of the Max-Planck-EPFL Center for Molecular Nanoscience and Technology, Schloss Ringberg, Kreuth, Germany (2015)
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Periodic Systems. Hands-on Workshop Density-Functional Theory and Beyond:
First-Principles Simulations of Molecules and Materials, Berlin, Germany (2015)
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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)