Publications of Christian Carbogno

Journal Article (30)

2024
Journal Article
Bi, Sheng, Christian Carbogno, Igor Ying Zhang and Matthias Scheffler: Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework.
2023
Journal Article
Beynon, Owain T., Alun Owens, Christian Carbogno and Andrew J. Logsdail: Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials.
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity in Thermal Insulators: An Analysis from First Principles.
Journal Article
Knoop, Florian, Matthias Scheffler and Christian Carbogno: Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation.
Journal Article
Langer, Marcel Florin, Florian Knoop, Christian Carbogno, Matthias Scheffler and Matthias Rupp: Heat flux for semilocal machine-learning potentials.
Journal Article
Purcell, Thomas, Matthias Scheffler, Luca M. Ghiringhelli and Christian Carbogno: Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence.
Journal Article
Xian, R.Patrick, Vincent Stimper, Marios Zacharias, Maciej Ramon Dendzik, Shuo Dong, Samuel Beaulieu, Bernhard Schölkopf, Martin Wolf, Laurenz Rettig, Christian Carbogno, Stefan Bauer and Ralph Ernstorfer: A machine learning route between band mapping and band structure.
2022
Journal Article
Carbogno, Christian, Kristian Sommer Thygesen, Björn Bieniek, Claudia Draxl, Luca M. Ghiringhelli, Andris Gulans, Oliver T. Hofmann, Karsten W. Jacobsen, Sven Lubeck, Jens Jørgen Mortensen, Mikkel Strange, Elisabeth Wruss and Matthias Scheffler: Numerical quality control for DFT-based materials databases.
Journal Article
Purcell, Thomas, Matthias Scheffler, Christian Carbogno and Luca M. Ghiringhelli: SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach.
2021
Journal Article
Seiler, Helene, Daniela Zahn, Marios Zacharias, Patrick-Nigel Hildebrandt, Thomas Vasileiadis, Yoav William Windsor, Yingpeng Qi, Christian Carbogno, Claudia Draxl, Ralph Ernstorfer and Fabio Caruso: Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus.
2020
Journal Article
Cao, Guohua, Runhai Ouyang, Luca M. Ghiringhelli, Matthias Scheffler, Huijun Liu, Christian Carbogno and Zhenyu Zhang: Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites.
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity measure for materials.
Journal Article
Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: FHI-vibes: Ab Initio Vibrational Simulations.
Journal Article
Zacharias, Marios, Matthias Scheffler and Christian Carbogno: Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures.
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.
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.
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.
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, 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.
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