Publications of Sebastian Kokott

Journal Article (5)

Journal Article
Tantardini, C.; Kokott, S.; Gonze, X.; Levchenko, S. V.; Saidi, W. A.: “Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers. Applied Materials Today 26, 101380 (2022)
Journal Article
Kokott, S.; Hurtado, I.; Vorwerk, C.; Draxl, C.; Blum, V.; Scheffler, M.: GIMS: Graphical Interface for Materials Simulations. The Journal of Open Source Software 6 (57), 2767 (2021)
Journal Article
Janke, S. M.; Rossi, M.; Levchenko, S. V.; Kokott, S.; Scheffler, M.; Blum, V.: Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory. Electronic Structure 2 (3), 035002 (2020)
Journal Article
Oliveira, M. J. T.; Papior, N.; Pouillon, Y.; Blum, V.; Artacho, E.; Caliste, D.; Corsetti, F.; de Gironcoli, S.; Elena, A. M.; Garcia, A. et al.; Garcia-Suarez, V. M.; Genovese, L.; Huhn, W. P.; Huhs, G.; Kokott, S.; Kucukbenli, E.; Larsen, A. H.; Lazzaro, A.; Lebedeva, I. V.; Li, Y.; Lopez-Duran, D.; Lopez-Tarifa, P.; Lüders, M.; Marques, M. A. L.; Minar, J.; Mohr, S.; Mostofi, A. A.; O'Cais, A.; Payne, M. C.; Ruh, T.; Smith, D. G. A.; Soler, J. M.; Strubbe, D. A.; Tancogne-Dejean, N.; Tildesley, D.; Torrent, M.; Yu, V. W.-z.: The CECAM electronic structure library and the modular software development paradigm. The Journal of Chemical Physics 153 (2), 024117 (2020)
Journal Article
Kokott, S.; Levchenko, S. V.; Rinke, P.; Scheffler, M.: First-principles supercell calculations of small polarons with proper account for long-range polarization effects. New Journal of Physics 20 (3), 033023 (2018)

Book Chapter (1)

Book Chapter
Carbogno, C.; Blum, V.; Kokott, S.; Lederer, H.; Marek, A.; Merz, F.; Rampp, M.; Ren, X.; Scheffler, M.: Preparing electronic-structure theory for the exascale. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 47 - 49. Max Planck Computing and Data Facility, Garching (2021)

Thesis - PhD (1)

Thesis - PhD
Kokott, S.: First-principles Investigation of Small Polarons in Metal Oxides. Dissertation, Humboldt Universität, Berlin (2018)
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