Christian Carbogno
Christian Carbogno
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany
Email confirmado em - Página inicial
TítuloCitado porAno
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
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
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
Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids
C Carbogno, R Ramprasad, M Scheffler
Physical review letters 118 (17), 175901, 2017
Evidence for photogenerated intermediate hole polarons in ZnO
H Sezen, H Shang, F Bebensee, C Yang, M Buchholz, A Nefedov, ...
Nature communications 6, 6901, 2015
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
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), 1-9, 2017
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
Adsorption of CO on Ni/Cu (110) bimetallic surfaces
E Demirci, C Carbogno, A Groß, A Winkler
Physical Review B 80 (8), 085421, 2009
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, 389-419, 2013
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
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
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
Formation of Vacancies in Si-and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking
A Bhattacharya, C Carbogno, B Böhme, M Baitinger, Y Grin, M Scheffler
Physical review letters 118 (23), 236401, 2017
Towards efficient data exchange and sharing for bigdata driven materials science: metadata and data formats. npj Comput
LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ...
Mater 3 (1), 46, 2017
Towards a common format for computational material science data
LM Ghiringhelli, C Carbogno, S Levchenko, F Mohamed, G Huhs, ...
arXiv preprint arXiv:1607.04738, 2016
Ab initio investigation of the laser induced desorption of iodine from KI (100)
C Carbogno, A Groß, M Rohlfing
Applied Physics A 88 (3), 579-586, 2007
Mixed quantum—classical treatment of reactions at surfaces with electronic transitions
C Bach, C Carbogno, A Groß
Israel journal of chemistry 45 (1‐2), 45-57, 2005
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
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
O sistema não pode efectuar a operação agora. Tente novamente mais tarde.
Artigos 1–20