Publications of Christian Carbogno
All genres
Journal Article (31)
1.
Journal Article
160 (3), 034106 (2024)
Self-interaction corrected SCAN functional for molecules and solids in the numeric atom-center orbital framework. The Journal of Chemical Physics 2.
Journal Article
108 (10), L100302 (2023)
Heat flux for semilocal machine-learning potentials. Physical Review B 3.
Journal Article
127 (32), pp. 16030 - 16040 (2023)
Evaluating the Role of Anharmonic Vibrations in Zeolite β Materials. The Journal of Physical Chemistry C 4.
Journal Article
9, 112 (2023)
Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence. npj Computational Materials 5.
Journal Article
130 (23), 236301 (2023)
Anharmonicity in Thermal Insulators: An Analysis from First Principles. Physical Review Letters 6.
Journal Article
107 (22), 224304 (2023)
Ab initio Green-Kubo simulations of heat transport in solids: Method and implementation. Physical Review B 7.
Journal Article
3 (1), pp. 101 - 114 (2023)
A machine learning route between band mapping and band structure. Nature Computational Science 8.
Journal Article
8, 69 (2022)
Numerical quality control for DFT-based materials databases. npj Computational Materials 9.
Journal Article
7 (71), 3960 (2022)
SISSO++: A C++ Implementation of the Sure-Independence Screening and Sparisifying Operator Approach. The Journal of Open Source Software 10.
Journal Article
21 (14), pp. 6171 - 6178 (2021)
Accessing the Anisotropic Nonthermal Phonon Populations in Black Phosphorus. Nano Letters 11.
Journal Article
5 (56), 2671 (2020)
FHI-vibes: Ab Initio Vibrational Simulations. The Journal of Open Source Software 12.
Journal Article
4 (8), 083809 (2020)
Anharmonicity measure for materials. Physical Review Materials 13.
Journal Article
102 (4), 045126 (2020)
Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures. Physical Review B 14.
Journal Article
4 (3), 034204 (2020)
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites. Physical Review Materials 15.
Journal Article
5, 123 (2019)
Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 16.
Journal Article
1 (3), 033153 (2019)
Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO2 by first-principles theory and two-photon photoemission. Physical Review Research 17.
Journal Article
36 (2), pp. 699 - 717 (2019)
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 18.
Journal Article
85, pp. 167 - 177 (2019)
Optimizations of the eigensolvers in the ELPA library. Parallel Computing 19.
Journal Article
2 (2), 024002 (2019)
Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO. JPhys Materials 20.
Journal Article
20 (7), 073040 (2018)
All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics