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Physical Review Letters|May 13, 2017
Ab Initio Green-Kubo Approach for the Thermal Conductivity of SolidsChristian Carbogno, Rampi Ramprasad, Matthias SchefflerNpj Computational Materials|October 16, 2025
Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar modelElia Stocco, Christian Carbogno, Mariana RossiPhysical Review Letters|October 15, 2008
Fingerprints for spin-selection rules in the interaction dynamics of O2 at Al(111)Christian Carbogno, Jörg Behler, Axel Grob, et al.The Journal of Chemical Physics|January 18, 2024
Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital frameworkSheng Bi, Christian Carbogno, Igor Ying Zhang, et al.Physical Review Letters|June 24, 2023
Anharmonicity in Thermal Insulators: An Analysis from First PrinciplesFlorian Knoop, Thomas A R Purcell, Matthias Scheffler, et al.The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 23, 2023
Evaluating the Role of Anharmonic Vibrations in Zeolite β MaterialsOwain T Beynon, Alun Owens, Christian Carbogno, et al.Physical Review Letters|June 24, 2017
Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry BreakingAmrita Bhattacharya, Christian Carbogno, Bodo Böhme, et al.The Journal of Chemical Physics|July 11, 2024
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atomsSebastian Kokott, Florian Merz, Yi Yao, et al.Angewandte Chemie (International Ed. in English)|March 27, 2018
Local Atomic Arrangements and Band Structure of Boron CarbideKarsten Rasim, Reiner Ramlau, Andreas Leithe-Jasper, et al.Nature Communications|April 23, 2015
Evidence for photogenerated intermediate hole polarons in ZnOHikmet Sezen, Honghui Shang, Fabian Bebensee, et al.Pageof 2