E-LIB Suche - Ergebnisse für: Carbogno, Christian

1

Self-interaction corrected SCAN functional for molecules an..:

Bi, Sheng ; Carbogno, Christian ; Zhang, Igor Ying.
The Journal of Chemical Physics. 160 (2024) 3 - p. , 2024

2

Roadmap on Data-Centric Materials Science:

Bauer, Stefan ; Benner, Peter ; Bereau, Tristan...
Modelling and Simulation in Materials Science and Engineering. , 2024

Link: https://doi.org/10.1088/..

3

Theory of thermal conductivity:

Kowalski, Hagen-Henrik , 2023

Link: https://nbn-resolving.de..

4

First-Principles Investigations of Structural Vibrations an..:

Akkouch, Alaa Hussein , 2023

Link: https://nbn-resolving.de..

5

Accelerating materials-space exploration for thermal insula..:

Purcell, Thomas A. R. ; Scheffler, Matthias ; Ghiringhelli, Luca M..
npj Computational Materials. 9 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

6

Anharmonicity in Thermal Insulators: An Analysis from First..:

Knoop, Florian ; Purcell, Thomas A. R. ; Scheffler, Matthias.
Physical Review Letters. 130 (2023) 23 - p. , 2023

Link: https://doi.org/10.1103/..

7

Shared metadata for data-centric materials science:

Ghiringhelli, Luca M. ; Baldauf, Carsten ; Bereau, Tristan...
Scientific Data. 10 (2023) 1 - p. , 2023

Link: https://doi.org/10.1038/..

8

Electronic Impurity Doping of a 2D Hybrid Lead Iodide Perov..:

Lu, Haipeng ; Koknat, Gabrielle ; Yao, Yi...
PRX Energy. 2 (2023) 2 - p. , 2023

Link: https://doi.org/10.1103/..

9

Evaluating the Role of Anharmonic Vibrations in Zeolite β M..:

Beynon, Owain T. ; Owens, Alun ; Carbogno, Christian.
The Journal of Physical Chemistry C. 127 (2023) 32 - p. 16030-16040 , 2023

Link: https://doi.org/10.1021/..

10

Ab initio Green-Kubo simulations of heat transport in solid..:

Knoop, Florian ; Scheffler, Matthias ; Carbogno, Christian
Physical Review B. 107 (2023) 22 - p. , 2023

Link: https://doi.org/10.1103/..

11

Heat flux for semilocal machine-learning potentials:

Langer, Marcel F. ; Knoop, Florian ; Carbogno, Christian..
Physical Review B. 108 (2023) 10 - p. , 2023

Link: https://doi.org/10.1103/..

12

Numerical quality control for DFT-based materials databases:

Carbogno, Christian ; Thygesen, Kristian Sommer ; Bieniek, Björn...
npj Computational Materials. 8 (2022) 1 - p. , 2022

Link: https://doi.org/10.1038/..

13

A machine learning route between band mapping and band stru..:

Xian, R. Patrick ; Stimper, Vincent ; Zacharias, Marios...
Nature Computational Science. 3 (2022) 1 - p. 101-114 , 2022

Link: https://doi.org/10.1038/..

14

SISSO++: A C++ Implementation of the Sure-IndependenceScree..:

Purcell, Thomas A. R. ; Scheffler, Matthias ; Carbogno, Christian.
Journal of Open Source Software. 7 (2022) 71 - p. 3960 , 2022

Link: https://doi.org/10.21105..

15

Accessing the Anisotropic Nonthermal Phonon Populations in ..:

Seiler, Hélène ; Zahn, Daniela ; Zacharias, Marios...
Nano Letters. 21 (2021) 14 - p. 6171-6178 , 2021

Link: https://doi.org/10.1021/..