Publications of Christian Carbogno

Journal Article (32)

2019
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.
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.
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.
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.
Journal Article
Carbogno, Christian, Rampi Ramprasad and Matthias Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids.
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.
Journal Article
Shang, Honghui, Christian Carbogno, Patrick Rinke and Matthias Scheffler: Lattice dynamics calculations based on density-functional perturbation theory in real space.
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.
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.
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.
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.
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.

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.
Book Chapter
Carbogno, Christian and Matthias Scheffler: Identifying novel thermal insulators in material space.
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.
2013
Book Chapter
Carbogno, Christian, Axel Groß, Jörg Meyer and Karsten Reuter: O2 Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation.

Conference Paper (1)

2022
Conference Paper
Seiler, Helene, Daniela Zahn, Marios Zacharias, Patrick-Nigel Hildebrandt, Thomas Vasileiadis, Yoav William Windsor, Yingpeng Qi, Christian Carbogno, Draxl Claudia, Ralph Ernstorfer and Fabio Caruso: Momentum-resolved non-radiative energy flow in photoexcited black phosphorus.
(The International Conference on Ultrafast Phenomena (UP) 2022, Montreal, Jul 2022).

Talk (87)

2024
Talk
Carbogno, Christian: Charge Transport in FHI-Aims: Opportunities and Challenges.
(FHI-aims UK Meeting 2024, University of Warwick, Warwick, UK, May 2024).
Talk
Carbogno, Christian: Efficient All-Electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms.
(CECAM Workshop, Perspectives and challenges of future HPC installations for atomistic and molecular simulations, Berlin, Germany, Feb 2024).
2023
Talk
Carbogno, Christian: Anharmonic Effects in Heat and Charge Transport: Fundamental Concepts, Novel Methods, and Relevant Applications.
(Seminar Physical and Theoretical Chemistry, Institute of Chemistry, University of Graz, Graz, Austria, Oct 2023).
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