E-LIB Suche - Ergebnisse für: Karsai, Ferenc

1

Machine learning-aided first-principles calculations of red..:

Jinnouchi, Ryosuke ; Karsai, Ferenc ; Kresse, Georg
npj Computational Materials. 10 (2024) 1 - p. , 2024

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

2

Combining Machine Learning and Many-Body Calculations: Cove..:

Liu, Peitao ; Wang, Jiantao ; Avargues, Noah...
Physical Review Letters. 130 (2023) 7 - p. , 2023

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

3

Proton Transport in Perfluorinated Ionomer Simulated by Mac..:

Jinnouchi, Ryosuke ; Minami, Saori ; Karsai, Ferenc..
The Journal of Physical Chemistry Letters. 14 (2023) 14 - p. 3581-3588 , 2023

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

4

First-principles hydration free energies of oxygenated spec..:

Jinnouchi, Ryosuke ; Karsai, Ferenc ; Verdi, Carla.
The Journal of Chemical Physics. 154 (2021) 9 - p. , 2021

Link: https://doi.org/10.1063/..

5

α−β phase transition of zirconium predicted by on-the-fly m..:

Liu, Peitao ; Verdi, Carla ; Karsai, Ferenc.
Physical Review Materials. 5 (2021) 5 - p. , 2021

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

6

Thermal transport and phase transitions of zirconia by on-t..:

Verdi, Carla ; Karsai, Ferenc ; Liu, Peitao..
npj Computational Materials. 7 (2021) 1 - p. , 2021

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

7

Descriptors representing two- and three-body atomic distrib..:

Jinnouchi, Ryosuke ; Karsai, Ferenc ; Verdi, Carla..
The Journal of Chemical Physics. 152 (2020) 23 - p. , 2020

Link: https://doi.org/10.1063/..

8

On-the-Fly Active Learning of Interatomic Potentials for La..:

Jinnouchi, Ryosuke ; Miwa, Kazutoshi ; Karsai, Ferenc..
The Journal of Physical Chemistry Letters. 11 (2020) 17 - p. 6946-6955 , 2020

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

9

Phase Transitions of Hybrid Perovskites Simulated by Machin..:

Jinnouchi, Ryosuke ; Lahnsteiner, Jonathan ; Karsai, Ferenc..
Physical Review Letters. 122 (2019) 22 - p. , 2019

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

10

Electron–phonon coupling in semiconductors within the GW ap..:

Karsai, Ferenc ; Engel, Manuel ; Flage-Larsen, Espen.
New Journal of Physics. 20 (2018) 12 - p. 123008 , 2018

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

11

On the importance of local orbitals using second energy der..:

Karsai, Ferenc ; Tran, Fabien ; Blaha, Peter
Computer Physics Communications. 220 (2017) - p. 230-238 , 2017

Link: https://doi.org/10.1016/..

12

Ab initioperspective on the Mollwo-Ivey relation forFcenter..:

Tiwald, Paul ; Karsai, Ferenc ; Laskowski, Robert...
Physical Review B. 92 (2015) 14 - p. , 2015

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

13

Nonmagnetic and ferromagnetic fcc cerium studied with one-e..:

Tran, Fabien ; Karsai, Ferenc ; Blaha, Peter
Physical Review B. 89 (2014) 15 - p. , 2014

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

14

Fcenter in lithium fluoride revisited: Comparison of solid-..:

Karsai, Ferenc ; Tiwald, Paul ; Laskowski, Robert...
Physical Review B. 89 (2014) 12 - p. , 2014

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

15

Note: Molecular dynamics studies of high-density amorphous ..:

Seidl, Markus ; Karsai, Ferenc ; Loerting, Thomas.
The Journal of Chemical Physics. 136 (2012) 2 - p. , 2012

Link: https://doi.org/10.1063/..