Publications of Christian Carbogno

Alvermann, A.; Basermann, A.; Bungartz, H.-J.; Carbogno, C.; Ernst, D.; Fehske, H.; Futamura, Y.; Galgon, M.; Hager, G.; Huber, S. et al.; Huckle, T.; Ida, A.; Imakura, A.; Kawai, M.; Köcher, S.; Kreutzer, M.; Kus, P.; Lang, B.; Lederer, H.; Manin, V.; Marek, A.; Nakajima, K.; Nemec, L.; Reuter, K.; Rippl, M.; Röhrig-Zöllner, M.; Sakurai, T.; Scheffler, M.; Scheurer, C.; Shahzad, F.; Simoes Brambila, D.; Thies, J.; Wellein, G.: Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 36 (2), pp. 699 - 717 (2019)

Kus, P.; Marek, A.; Köcher, S. S.; Kowalski, H.-H.; Carbogno, C.; Scheurer, C.; Reuter, K.; Scheffler, M.; Lederer, H.: Optimizations of the eigensolvers in the ELPA library. Parallel Computing 85, pp. 167 - 177 (2019)

Ouyang, R.; Ahmetcik, E.; Carbogno, C.; Scheffler, M.; Ghiringhelli, L. M.: Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO. JPhys Materials 2 (2), 024002 (2019)

Shang, H.; Raimbault, N.; Rinke, P.; Scheffler, M.; Rossi, M.; Carbogno, C.: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics 20 (7), 073040 (2018)

Rasim, K.; Ramlau, R.; Leithe-Jasper, A.; Mori, T.; Burkhardt, U.; Borrmann, H.; Schnelle, W.; Carbogno, C.; Scheffler, M.; Grin, Y.: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie International Edition 57 (21), pp. 6130 - 6135 (2018)

Rasim, K.; Ramlau, R.; Leithe-Jasper, A.; Mori, T.; Burkhardt, U.; Borrmann, H.; Schnelle, W.; Carbogno, C.; Scheffler, M.; Grin, Y.: Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie 130 (21), pp. 6238 - 6243 (2018)

Ghiringhelli, L. M.; Carbogno, C.; Levchenko, S. V.; Mohamed, F. R.; Huhs, G.; Lüders, M.; Oliveira, M.; Scheffler, M.: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, 46 (2017)

Bhattacharya, A.; Carbogno, C.; Böhme, B.; Baitinger, M.; Grin, J.; Scheffler, M.: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking. Physical Review Letters 118 (23), 236401 (2017)

Shang, H.; Carbogno, C.; Rinke, P.; Scheffler, M.: Lattice dynamics calculations based on density-functional perturbation theory in real space. Computer Physics Communications 215, pp. 26 - 46 (2017)

Carbogno, C.; Ramprasad, R.; Scheffler, M.: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids. Physical Review Letters 118 (17), 175901 (2017)

Knuth, F.; Carbogno, C.; Atalla, V.; Blum, V.; Scheffler, M.: All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications 190, pp. 33 - 50 (2015)

Sezen, H.; Shang, H.; Bebensee, F.; Yang, C.; Buchholz, M.; Nefedov, A.; Heissler, S.; Carbogno, C.; Scheffler, M.; Rinke, P. et al.; Wöll, C.: Evidence for photogenerated intermediate hole polarons in ZnO. Nature Communications 6 (4), 6901 (2015)

Carbogno, C.; Levi, C. G.; de Walle, C. G. V.; Scheffler, M.: Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B 90 (14), 144109 (2014)

Estreicher, S. K.; Backlund, D. J.; Carbogno, C.; Scheffler, M.: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), pp. 10221 - 10225 (2011)

Gibbons, T. M.; Kang, B.; Estreicher, S. K.; Carbogno, C.: Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping. Physical Review B 84, 035317 (2011)

Carbogno, C.; Blum, V.; Kokott, S.; Lederer, H.; Marek, A.; Merz, F.; Rampp, M.; Ren, X.; Scheffler, M.: Preparing electronic-structure theory for the exascale. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 47 - 49. Max Planck Computing and Data Facility, Garching (2021)

Carbogno, C.; Scheffler, M.: Identifying novel thermal insulators in material space. In: High-Performance Computing and Data Science in the Max Planck Society, pp. 42 - 43. Max Planck Computing and Data Facility, Garching (2021)

Bungartz, H.-J.; Carbogno, C.; Galgon, M.; Huckle, T.; Köcher, S.; Kowalski, H.-H.; Kus, P.; Lang, B.; Lederer, H.; Manin, V. et al.; Marek, A.; Reuter, K.; Rippl, M.; Scheffler, M.; Scheurer, C.: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends, Vol. 36, pp. 647 - 668. IOS Press, Amsterdam (2020)

Carbogno, C.; Groß, A.; Meyer, J.; Reuter, K.: O₂ Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation. In: Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces, pp. 389 - 419 (Eds. Díez Muiño, R.; Busnengo, H. F.). Springer, Berlin, Heidelberg (2013)

Seiler, H.; Zahn, D.; Zacharias, M.; Hildebrandt, P.-N.; Vasileiadis, T.; Windsor, Y. W.; Qi, Y.; Carbogno, C.; Claudia, D.; Ernstorfer, R. et al.; Caruso, F.: Momentum-resolved non-radiative energy flow in photoexcited black phosphorus. In: Optics Infobase Conference Papers. The International Conference on Ultrafast Phenomena (UP) 2022, Montreal, July 18, 2022 - July 22, 2022. (2022)