Publications of Christian Carbogno

Journal Article (36)

2019
Journal Article
Alvermann, Andreas, Achim Basermann, Hans-Joachim Bungartz, Christian Carbogno, Dominik Ernst, Holger Fehske, Yasunori Futamura, Martin Galgon, Georg Hager, Sarah Huber, Thomas Huckle, Akihiro Ida, Akira Imakura, Masatoshi Kawai, Simone Köcher, Moritz Kreutzer, Pavel Kus, Bruno Lang, Hermann Lederer, Valeriy Manin, Andreas Marek, Kengo Nakajima, Lydia Nemec, Karsten Reuter, Michael Rippl, Melven Röhrig-Zöllner, Tetsuya Sakurai, Matthias Scheffler, Christoph Scheurer, Faisal Shahzad, Danilo Simoes Brambila, Jonas Thies and Gerhard Wellein: Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects.
MPG.PuRe
DOI
pre-print
Journal Article
Kus, P., A. Marek, S.S. Köcher, Hagen-Henrik Kowalski, Christian Carbogno, Ch. Scheurer, Karsten Reuter, Matthias Scheffler and H. Lederer: Optimizations of the eigensolvers in the ELPA library.
MPG.PuRe
DOI
pre-print
Journal Article
Lenz, Maja-Olivia, Thomas Purcell, David Hicks, Stefano Curtarolo, Matthias Scheffler and Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
MPG.PuRe
DOI
pre-print
publisher-version
Journal Article
Ouyang, Runhai, Emre Ahmetcik, Christian Carbogno, Matthias Scheffler and Luca M. Ghiringhelli: Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO.
MPG.PuRe
DOI
pre-print
publisher-version
Journal Article
Shang, Honghui, Adam Argondizzo, Shijing Tan, Jin Zhao, Patrick Rinke, Christian Carbogno, Matthias Scheffler and Hrvoje Petek: Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO2 by first-principles theory and two-photon photoemission.
MPG.PuRe
DOI
publisher-version
2018
Journal Article
Rasim, Karsten, Reiner Ramlau, Andreas Leithe-Jasper, Takao Mori, Ulrich Burkhardt, Horst Borrmann, Walter Schnelle, Christian Carbogno, Matthias Scheffler and Yuri Grin: Local Atomic Arrangements and Band Structure of Boron Carbide.
MPG.PuRe
DOI
Full
Journal Article
Shang, Honghui, Nathaniel Raimbault, Patrick Rinke, Matthias Scheffler, Mariana Rossi and Christian Carbogno: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT.
MPG.PuRe
DOI
publisher-version
2017
Journal Article
Bhattacharya, Amrita, Christian Carbogno, Bodo Böhme, Michael Baitinger, Juri Grin and Matthias Scheffler: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking.
MPG.PuRe
DOI
publisher-version
Journal Article
Carbogno, Christian, Rampi Ramprasad and Matthias Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids.
MPG.PuRe
DOI
pre-print
publisher-version
Journal Article
Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, Georg Huhs, Martin Lüders, Micael Oliveira and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
MPG.PuRe
DOI
publisher-version
Journal Article
Shang, Honghui, Christian Carbogno, Patrick Rinke and Matthias Scheffler: Lattice dynamics calculations based on density-functional perturbation theory in real space.
MPG.PuRe
DOI
pre-print
publisher-version
2015
Journal Article
Knuth, Franz, Christian Carbogno, Viktor Atalla, Volker Blum and Matthias Scheffler: All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals.
MPG.PuRe
DOI
publisher-version
Journal Article
Sezen, Hikmet, Honghui Shang, Fabian Bebensee, Chengwu Yang, Maria Buchholz, Alexei Nefedov, Stefan Heissler, Christian Carbogno, Matthias Scheffler, Patrick Rinke and Christof Wöll: Evidence for photogenerated intermediate hole polarons in ZnO.
MPG.PuRe
DOI
Full
2014
Journal Article
Carbogno, Christian, Carlos G. Levi, Chris G.Van de Walle and Matthias Scheffler: Ferroelastic switching of doped zirconia: Modeling and understanding from first principles.
MPG.PuRe
DOI
publisher-version
2011
Journal Article
Estreicher, Stefan K., Daniel J. Backlund, Christian Carbogno and Matthias Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional.
MPG.PuRe
DOI
Journal Article
Gibbons, T.M., By. Kang, S.K. Estreicher and Christian Carbogno: Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping.
MPG.PuRe
DOI
publisher-version

Book Chapter (4)

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
Book Chapter
Carbogno, Christian and Matthias Scheffler: Identifying novel thermal insulators in material space.
MPG.PuRe
2020
Book Chapter
Bungartz, Hans-Joachim, Christian Carbogno, Martin Galgon, Thomas Huckle, Simone Köcher, Hagen-Henrik Kowalski, Pavel Kus, Bruno Lang, Hermann Lederer, Valeriy Manin, Andreas Marek, Karsten Reuter, Michael Rippl, Matthias Scheffler and Christoph Scheurer: ELPA: A parallel solver for the generalized eigenvalue problem.
MPG.PuRe
DOI
publisher-version
2013
Book Chapter
Carbogno, Christian, Axel Groß, Jörg Meyer and Karsten Reuter: O2 Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation.
MPG.PuRe
DOI
Web-View
Print Page
Open in new window
Estimated DIN-A4 page-width
Go to Editor View