Publications of Sebastian Kokott

Journal Article (8)

2024
Journal Article
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, Zongrui Pei, Thomas Purcell, Dierk Raabe, Markus Rampp, Mariana Rossi, Jan-Michael Rost, James E. Saal, Ulf Saalmann, Kasturi Narasimha Sasidhar, Alaukik Saxena, Luigi Sbailo, Markus Scheidgen, Marcel Schloz, Daniel F. Schmidt, Simon Teshuva, Annette Trunschke, Ye Wei, Gerhard Weikum, R.Patrick Xian, Yi Yao, Junqi Yin, Meng Zhao and Matthias Scheffler: Roadmap on data-centric materials science.
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Journal Article
Kokott, Sebastian, Florian Merz, Yi Yao, Christian Carbogno, Mariana Rossi, Ville Havu, Markus Rampp, Matthias Scheffler and Volker Blum: Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms.
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2023
Journal Article
Gavini, Vikram, Stefano Baroni, Volker Blum, David R. Bowler, Alexander Buccheri, James R. Chelikowsky, Sambit Das, William Dawson, Pietro Delugas, Mehmet Dogan, Claudia Draxl, Giulia Galli, Luigi Genovese, Paolo Giannozzi, Matteo Giantomassi, Xavier Gonze, Marco Govoni, François Gygi, Andris Gulans, John M. Herbert, Sebastian Kokott, Thomas D. Kühne, Kai-Hsin Liou, Tsuyoshi Miyazaki, Phani Motamarri, Ayako Nakata, John E. Pask, Christian Plessl, Laura E. Ratcliff, Ryan M. Richard, Mariana Rossi, Robert Schade, Matthias Scheffler, Ole Schütt, Phanish Suryanarayana, Marc Torrent, Lionel Truflandier, Theresa L. Windus, Qimen Xu, Victor W.-Z. Yu and Danny Perez: Roadmap on electronic structure codes in the exascale era.
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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.
MPG.PuRe
DOI
2021
Journal Article
Kokott, Sebastian, Iker Hurtado, Christian Vorwerk, Claudia Draxl, Volker Blum and Matthias Scheffler: GIMS: Graphical Interface for Materials Simulations.
MPG.PuRe
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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.
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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.
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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.
MPG.PuRe
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publisher-version

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.
MPG.PuRe

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).
MPG.PuRe

Thesis - PhD (1)

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