Christian Carbogno

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Coauteurs

Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftAdresse e-mail validée de fhi-berlin.mpg.de
Luca M. GhiringhelliProfessor for Data-based Materials Modeling @ FAU, dept. of Materials Science and EngineeringAdresse e-mail validée de fau.de
Thomas A. R. PurcellUniversity of ArizonaAdresse e-mail validée de arizona.edu
Axel GrossInstitute of Theoretical Chemistry, Ulm University, and Helmholtz-Institute Ulm- ElectrochemicalAdresse e-mail validée de uni-ulm.de
Karsten ReuterDirector at Fritz-Haber-Institut der MPGAdresse e-mail validée de fhi-berlin.mpg.de
Volker BlumAssociate Professor, MEMS Department - Duke University, Durham, NCAdresse e-mail validée de duke.edu
Claudia DraxlEinstein Professor of Physics, Humboldt-Universität zu BerlinAdresse e-mail validée de physik.hu-berlin.de
Marios ZachariasFOTON Institute, INSA Rennes, FranceAdresse e-mail validée de insa-rennes.fr
Florian KnoopLinköping UniversitetAdresse e-mail validée de liu.se
Runhai OuyangShanghai UniversityAdresse e-mail validée de shu.edu.cn
Jörg BehlerRuhr-Universität BochumAdresse e-mail validée de ruhr-uni-bochum.de
Patrick RinkeProfessor at Technical University Munich, GermanyAdresse e-mail validée de tum.de
Andreas MarekHead of AI & HPDA, MPCDFAdresse e-mail validée de mpcdf.mpg.de
S.K. EstreicherTexas Tech UniversityAdresse e-mail validée de ttu.edu
Sergey V. LevchenkoSkolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, RussiaAdresse e-mail validée de skoltech.ru
Mariana RossiHead of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, HamburgAdresse e-mail validée de mpsd.mpg.de
Hikmet SezenTechnical University of DarmstadtAdresse e-mail validée de tu-darmstadt.de
Hermann LedererMax Planck Computing and Data FacilityAdresse e-mail validée de mytum.de
Chris G. Van de WalleProfessor of Materials, University of California, Santa BarbaraAdresse e-mail validée de mrl.ucsb.edu
Christof WöllProfessor of Physical Chemistry, Director of Institute of Functional Interfaces, KIT KarlsruheAdresse e-mail validée de kit.edu

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Christian Carbogno

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

Adresse e-mail validée de fhi-berlin.mpg.de - Page d'accueil


Titre Trier par citations Trier par année Trier par titre	Citée par Citée par	Année
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	178	2019
Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids C Carbogno, R Ramprasad, M Scheffler Physical review letters 118 (17), 175901, 2017	152	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	150	2015
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	127*	2017
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	113	2008
Signatures of nonadiabatic dissociation at Al(111): First-principles fewest-switches study C Carbogno, J Behler, K Reuter, A Groß Physical Review B—Condensed Matter and Materials Physics 81 (3), 035410, 2010	101	2010
Anharmonicity Measure for Materials F Knoop, TAR Purcell, M Scheffler, C Carbogno Phys. Rev. Materials 4, 083809, 2020	80	2020
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	69	2018
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	69	2015
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	67	2017
Fully Anharmonic, Non-Perturbative Theory of Vibronically Renormalized Electronic Band Structures M Zacharias, M Scheffler, C Carbogno Phys. Rev. B 102, 045126, 2020	58	2020
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	53	2018
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	46	2021
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	43	2011
Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping TM Gibbons, B Kang, SK Estreicher, C Carbogno Physical Review B—Condensed Matter and Materials Physics 84 (3), 035317, 2011	41	2011
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	40	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	39	2014
Anharmonicity in thermal insulators: An analysis from first principles F Knoop, TAR Purcell, M Scheffler, C Carbogno Physical Review Letters 130 (23), 236301, 2023	34	2023
Optimizations of the eigensolvers in the ELPA library P Kůs, A Marek, SS Köcher, HH Kowalski, C Carbogno, C Scheurer, ... Parallel Computing 85, 167-177, 2019	34	2019
FHI-Vibes: Ab initio vibrational simulations F Knoop, T Purcell, M Scheffler, C Carbogno The Journal of Open Source Software 5 (56), 2020	30	2020

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