Publications of Christian Carbogno

Journal Article

Knoop, Florian, Matthias Scheffler and Christian Carbogno: Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation.

MPG.PuRe

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.

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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.

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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.

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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.

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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.

MPG.PuRe

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.

MPG.PuRe

Journal Article

Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: Anharmonicity measure for materials.

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Journal Article

Knoop, Florian, Thomas Purcell, Matthias Scheffler and Christian Carbogno: FHI-vibes: Ab Initio Vibrational Simulations.

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Journal Article

Zacharias, Marios, Matthias Scheffler and Christian Carbogno: Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures.

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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.

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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.

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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.

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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

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

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

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

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

Journal Article

Carbogno, Christian, Rampi Ramprasad and Matthias Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids.

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