Publications of Christian Carbogno
All genres
Journal Article (34)
2019
Journal Article
Lenz, Maja-Olivia, Thomas Purcell, , , Matthias Scheffler and Christian Carbogno: Parametrically constrained geometry relaxations for high-throughput materials science.
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.
Journal Article
Shang, Honghui, , , , , Christian Carbogno, Matthias Scheffler and : 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, , , , , , , Christian Carbogno, Matthias Scheffler and : Local Atomic Arrangements and Band Structure of Boron Carbide.
Journal Article
Shang, Honghui, Nathaniel Raimbault, , 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, , , and Matthias Scheffler: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking.
Journal Article
Carbogno, Christian, 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, , , 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
, Honghui Shang, , , , , , Christian Carbogno, Matthias Scheffler, Patrick Rinke and : Evidence for photogenerated intermediate hole polarons in ZnO.
2014
Journal Article
Carbogno, Christian, , and Matthias Scheffler: Ferroelastic switching of doped zirconia: Modeling and understanding from first principles.
2011
Journal Article
, , Christian Carbogno and Matthias Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional.
Journal Article
, , and Christian Carbogno: Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping.
Book Chapter (4)
2021
Book Chapter
Carbogno, Christian, , Sebastian Kokott, , , , , 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
, Christian Carbogno, , , , Hagen-Henrik Kowalski, , , , , , , , Matthias Scheffler and : ELPA: A parallel solver for the generalized eigenvalue problem.
2013
Book Chapter
Carbogno, Christian, , 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, , 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 (91)
2024
Talk
Carbogno, Christian: Charge Transport in FHI-Aims: Opportunities and Challenges.
(FHI-aims UK Meeting 2024, University of Warwick, Warwick, UK, May 2024).