Publications of Sebastian Kokott

Journal Article (5)

2022
Journal Article
Tantardini, Christian, Sebastian Kokott, Xavier Gonze, Sergey V. Levchenko and Wissam A. Saidi: “Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers.
2021
Journal Article
Kokott, Sebastian, Iker Hurtado, Christian Vorwerk, Claudia Draxl, Volker Blum and Matthias Scheffler: GIMS: Graphical Interface for Materials Simulations.
2020
Journal Article
Janke, Svenja Maria, Mariana Rossi, Sergey V. Levchenko, Sebastian Kokott, Matthias Scheffler and Volker Blum: Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory.
Journal Article
Oliveira, Micael J.T., Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste, Fabiano Corsetti, Stefano de Gironcoli, Alin M. Elena, Alberto Garcia, Victor M. Garcia-Suarez, Luigi Genovese, William P. Huhn, Georg Huhs, Sebastian Kokott, Emine Kucukbenli, Ask H. Larsen, Alfio Lazzaro, Irina V. Lebedeva, Yingzhou Li, David Lopez-Duran, Pablo Lopez-Tarifa, Martin Lüders, Miguel A.L. Marques, Jan Minar, Stephan Mohr, Arash A. Mostofi, Alan O'Cais, Mike C. Payne, Thomas Ruh, Daniel G.A. Smith, Jose M. Soler, David A. Strubbe, Nicolas Tancogne-Dejean, Dominic Tildesley, Marc Torrent and Victor Wen-zhe Yu: The CECAM electronic structure library and the modular software development paradigm.
2018
Journal Article
Kokott, Sebastian, Sergey V. Levchenko, Patrick Rinke and Matthias Scheffler: First-principles supercell calculations of small polarons with proper account for long-range polarization effects.

Book Chapter (1)

2021
Book Chapter
Carbogno, Christian, Volker Blum, Sebastian Kokott, Hermann Lederer, Andreas Marek, Florian Merz, Markus Rampp, Xinguo Ren and Matthias Scheffler: Preparing electronic-structure theory for the exascale.

Talk (1)

2022
Talk
Kokott, Sebastian: FHI-Aims: The Ab Initio Materials Simulation Package.
(NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany, Oct 2022).

Thesis - PhD (1)

2018
Thesis - PhD
Kokott, Sebastian: First-principles Investigation of Small Polarons in Metal Oxides.

Preprint (1)

2024
Preprint
Bauer, Stefan, Peter Benner, Tristan Bereau, Volker Blum, Mario Boley, Christian Carbogno, C.Richard A. Catlow, Gerhard Dehm, Sebastian Eibl, Ralph Ernstorfer, Adam Fekete, Lucas Foppa, Peter Fratzl, Christoph Freysoldt, Baptiste Gault, Luca M. Ghiringhelli, Sajal K. Giri, Anton Gladyshev, Pawan Goyal, Jason Hattrick-Simpers, Lara Kabalan, Petr Karpov, Mohammad S. Khorrami, Christoph Koch, Sebastian Kokott, Thomas Kosch, Igor Kowalec, Kurt Kremer, Andreas Leitherer, Yue Li, Christian H. Liebscher, Andrew J. Logsdail, Zhongwei Lu, Felix Luong, Andreas Marek, Florian Merz, Jaber R. Mianroodi, Jorg Neugebauer, Thomas A.R. Purcell, Dierk Raabe, Markus Rampp, Mariana Rossi, Jan-Michael Rost, Ulf Saalmann, Alaukik Saxena, Luigi Sbailo, Matthias Scheffler, Markus Scheidgen, Marcel Schloz, Daniel F. Schmidt, Simon Teshuva, Annette Trunschke, Ye Wei, Gerhard Weikum, R.Patrick Xian, Yi Yao and Meng Zhao: Roadmap on Data-Centric Materials Science.
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