Publications of Christian Carbogno

Talk (91)

2014
Talk
Carbogno, Christian: Thermal Conductivity Simulations: Achieving Time and Size Convergence.
(DFT and Beyond with Numeric Atom-Centered Orbitals, FHI-aims Developers' and Users' Meeting, Berlin, Germany, Aug 2014).
Talk
Carbogno, Christian: Thermal Conductivities at High Temperatures from First Principles.
(EUPHONON Workshop, Le Mans, France, Sep 2014).
Talk
Carbogno, Christian: Towards the first-principles discovery of (novel) thermoelectric materials.
(Science Day of the MPG-EPFL Center for Molecular Nanoscience & Technology, Berlin, Germany, Oct 2014).
Talk
Carbogno, Christian: Towards the first-principles discovery of (novel) thermoelectric materials.
(Gruppenseminar des Instituts für Theoretische Chemie, Universität Ulm, Ulm, Germany, Dec 2014).
2013
Talk
Carbogno, Christian: High Temperature Thermal Conductivity from First Principles.
(Telluride Workshop on Thermal Transport at the Nanoscale, Telluride, CO, USA, Jun 2013).
Talk
Carbogno, Christian: Charge and Heat Transport in Solids.
(Hands-on Workshop DFT and Beyond, Trieste, Italy, Aug 2013).
Talk
Carbogno, Christian: High Temperature Thermal Conductivity from First Principles.
(IPAM Workshop on Energy Conservation and Waste Heat Recovery, UCLA, Los Angeles, CA, USA, Nov 2013).
2012
Talk
Carbogno, Christian: Heat transport from first principles in FHI-aims.
(FHI-aims Developer's and User's Meeting, Berlin, Germany, Aug 2012).
Talk
Carbogno, Christian: Thermal Conductivity at High Temperatures from First Principles.
(CECAM Workshop on Vibrational coupling: most important, often ignored, and a challenge for ab-initio theory, Lausanne, Switzerland, Nov 2012).
Talk
Carbogno, Christian: Thermal Conductivity at High Temperatures from First Principles.
(Seminar, Theoretische Chemie, Technische Universität, München, Germany, Dec 2012).

Thesis - Master (3)

2023
Thesis - Master
Fiebig, Florian: Assessing Electronic Transport in Solid Materials via the Fluctuation-Dissipation Theorem.
2022
Thesis - Master
Zhu, Xiaoyu: Ab Initio Green-Kubo Calculations for Strongly Anharmonic Solids: A comparative Benchmark of Lattice Thermal Conductivities.
2016
Thesis - Master
Ahmetcik, Emre: Machine Learning of the Stability of Octet Binaries.

Working Paper (9)

2025
Working Paper
Carbogno, Christian, Nikita Rybin, Sara Panahian Jand, Alaa Akkoush, Zhenkun Yuan, Mariana Rossi and Carlos Mera Acosta: Polarisation, Born Effective Charges, and Topological Invariants via a Berry-Phase Approach.
Working Paper
Müller, Niclas S., Alexander P. Fellows, Ben John, Andrew E. Naclerio, Christian Carbogno, Katayoun Gharagozloo-Hubmann, Damian Balaz, Ryan A. Kowalski, Hendrik Heenen, Christoph Scheurer, Karsten Reuter, Joshua D. Caldwell, Martin Wolf, Piran R. Kidambi, Martin Thämer and Alexander Paarmann: Full Crystallographic Imaging of Hexagonal Boron Nitride Monolayers with Phonon-Enhanced Sum-Frequency Microscopy.
Working Paper
Stocco, Elia, Christian Carbogno and Mariana Rossi: Electric-Field Driven Nuclear Dynamics of Liquids and Solids from a Multi-Valued Machine-Learned Dipolar Model.
2024
Working Paper
Kang, Kisung, Matthias Scheffler, Christian Carbogno and Thomas Purcell: Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials Through Active Learning.
Working Paper
Quan, J., Min-Ye Zhang, Matthias Scheffler and Christian Carbogno: Temperature-Dependent Electronic Spectral Functions From Band-Structure Unfolding.
2023
Working Paper
Lu, Shuaihua, Luca M. Ghiringhelli, Christian Carbogno, Jinlan Wang and Matthias Scheffler: On the Uncertainty Estimates of Equivariant-Neural-Network-Ensembles Interatomic Potentials.
Working Paper
Speckhard, Daniel, Christian Carbogno, Luca M. Ghiringhelli, Sven Lubeck, Matthias Scheffler and Claudia Draxl: Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models.
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