Christian Carbogno

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinVerified email at fhi-berlin.mpg.de
Axel GrossInstitute of Theoretical Chemistry, Ulm University, and Helmholtz-Institute Ulm- ElectrochemicalVerified email at uni-ulm.de
Luca M. GhiringhelliFritz-Haber-Institut der Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
Karsten ReuterDirector at Fritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de
Honghui ShangInstitute of Computing Technology, Chinese Academy of Sciences, BeijingVerified email at ict.ac.cn
Thomas A. R. PurcellFritz Haber InstituteVerified email at fhi-berlin.mpg.de
Jörg BehlerRuhr-Universität BochumVerified email at ruhr-uni-bochum.de
Patrick RinkeProfessor at Aalto University, HelsinkiVerified email at aalto.fi
Runhai OuyangShanghai UniversityVerified email at shu.edu.cn
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCVerified email at duke.edu
Marios ZachariasFOTON Institute, INSA Rennes, FranceVerified email at insa-rennes.fr
Claudia DraxlEinstein Professor of Physics, Humboldt-Universität zu BerlinVerified email at physik.hu-berlin.de
S.K. EstreicherTexas Tech UniversityVerified email at ttu.edu
Florian KnoopLinköping UniversitetVerified email at liu.se
Micael J. T. OliveiraMax Planck Institute for the Structure and Dynamics of MatterVerified email at mpsd.mpg.de
Sergey V. LevchenkoSkolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, RussiaVerified email at skoltech.ru
Martin LuedersSTFC Daresbury LaboratoryVerified email at stfc.ac.uk
Andreas MarekHead of AI & HPDA, MPCDFVerified email at mpcdf.mpg.de
Hikmet SezenTechnical University of DarmstadtVerified email at tu-darmstadt.de
Fabian BebenseeVerified email at wiley.com

Christian Carbogno

Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany

Verified email at fhi-berlin.mpg.de - Homepage


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Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids C Carbogno, R Ramprasad, M Scheffler Physical review letters 118 (17), 175901, 2017	109	2017
Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO R Ouyang, E Ahmetcik, C Carbogno, M Scheffler, LM Ghiringhelli Journal of Physics: Materials 2 (2), 024002, 2019	94	2019
Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ... npj computational materials 3 (1), 46, 2017	94*	2017
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals F Knuth, C Carbogno, V Atalla, V Blum, M Scheffler Computer Physics Communications 190, 33-50, 2015	92	2015
Fingerprints for spin-selection rules in the interaction dynamics of O 2 at Al (111) C Carbogno, J Behler, A Groß, K Reuter Physical review letters 101 (9), 096104, 2008	90	2008
Signatures of nonadiabatic O 2 dissociation at Al (111): First-principles fewest-switches study C Carbogno, J Behler, K Reuter, A Groß Physical Review B 81 (3), 035410, 2010	87	2010
Evidence for photogenerated intermediate hole polarons in ZnO H Sezen, H Shang, F Bebensee, C Yang, M Buchholz, A Nefedov, ... Nature communications 6 (1), 6901, 2015	60	2015
Evidence for photogenerated intermediate hole polarons in ZnO H Sezen, H Shang, F Bebensee, C Yang, M Buchholz, A Nefedov, ... Nature communications 6 (1), 6901, 2015	60	2015
Local atomic arrangements and band structure of boron carbide K Rasim, R Ramlau, A Leithe‐Jasper, T Mori, U Burkhardt, H Borrmann, ... Angewandte Chemie 130 (21), 6238-6243, 2018	42	2018
Lattice dynamics calculations based on density-functional perturbation theory in real space H Shang, C Carbogno, P Rinke, M Scheffler Computer Physics Communications 215, 26-46, 2017	42	2017
Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange‐Correlation Functional SK Estreicher, DJ Backlund, C Carbogno, M Scheffler Angewandte Chemie International Edition 50 (43), 10221-10225, 2011	41	2011
Anharmonicity Measure for Materials F Knoop, TAR Purcell, M Scheffler, C Carbogno Phys. Rev. Materials 4, 083809, 2020	39	2020
Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping TM Gibbons, SK Estreicher, C Carbogno Physical Review B 84 (3), 035317, 2011	33	2011
All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT H Shang, N Raimbault, P Rinke, M Scheffler, M Rossi, C Carbogno New Journal of Physics 20 (7), 073040, 2018	30	2018
Fully Anharmonic, Non-Perturbative Theory of Vibronically Renormalized Electronic Band Structures M Zacharias, M Scheffler, C Carbogno Phys. Rev. B 102, 045126, 2020	27	2020
Ferroelastic switching of doped zirconia: Modeling and understanding from first principles C Carbogno, CG Levi, CG Van de Walle, M Scheffler Physical Review B 90 (14), 144109, 2014	27	2014
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites G Cao, R Ouyang, LM Ghiringhelli, M Scheffler, H Liu, C Carbogno, ... Physical Review Materials 4 (3), 034204, 2020	26	2020
O₂ Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation C Carbogno, A Groß, J Meyer, K Reuter Dynamics of Gas-Surface Interactions: Atomic-level Understanding of …, 2013	25	2013
Adsorption of CO on Ni/Cu (110) bimetallic surfaces E Demirci, C Carbogno, A Groß, A Winkler Physical Review B 80 (8), 085421, 2009	25	2009
Accessing the anisotropic nonthermal phonon populations in black phosphorus H Seiler, D Zahn, M Zacharias, PN Hildebrandt, T Vasileiadis, ... Nano Letters 21 (14), 6171-6178, 2021	22	2021

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