E-LIB Suche - Ergebnisse für: Gonze, Xavier

1

Surface enhanced infrared absorption mechanism and modifica..:

Colleu, Tanguy ; Fekete, Adam ; Gonze, Xavier...
Journal of Physics: Photonics. 6 (2024) 2 - p. 025003 , 2024

2

Generating and grading 34 optimised norm-conserving Vanderb..:

Tantardini, Christian ; Iliaš, Miroslav ; Giantomassi, Matteo...
Computer Physics Communications. 295 (2024) - p. 109002 , 2024

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

3

High-throughput analysis of Fröhlich-type polaron models:

de Melo, Pedro Miguel M. C. ; de Abreu, Joao C. ; Guster, Bogdan...
npj Computational Materials. 9 (2023) 1 - p. , 2023

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

4

Electronic Properties of Functionalized Diamanes for Field-..:

Tantardini, Christian ; Kvashnin, Alexander G. ; Azizi, Maryam...
ACS Applied Materials & Interfaces. 15 (2023) 12 - p. 16317-16326 , 2023

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

5

Large cylindrical polaron in orthorhombic SnSe: A theoretic..:

Guster, Bogdan ; Vasilchenko, Vasilii ; Azizi, Maryam..
Physical Review Materials. 7 (2023) 6 - p. , 2023

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

6

A First-Principles Explanation of the Luminescent Line Shap..:

Bouquiaux, Julien ; Poncé, Samuel ; Jia, Yongchao...
Chemistry of Materials. , 2023

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

7

Time-frequency component of the GreenX library: minimaxgrid..:

Azizi, Maryam ; Wilhelm, Jan ; Golze, Dorothea...
Journal of Open Source Software. 8 (2023) 90 - p. 5570 , 2023

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

8

Roadmap on electronic structure codes in the exascale era:

Gavini, Vikram ; Baroni, Stefano ; Blum, Volker...
Modelling and Simulation in Materials Science and Engineering. 31 (2023) 6 - p. 063301 , 2023

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

9

Constrained Density Functional Theory: A Potential-Based Se..:

Gonze, Xavier ; Seddon, Benjamin ; Elliott, James A...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6099-6110 , 2022

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

10

Spectroscopic signatures of nonpolarons: the case of diamon:

de Abreu, Joao C. ; Nery, Jean Paul ; Giantomassi, Matteo..
Physical Chemistry Chemical Physics. 24 (2022) 20 - p. 12580-12591 , 2022

Link: https://doi.org/10.1039/..

11

Sr‐Doped Superionic Hydrogen Glass: Synthesis and Propertie..:

Semenok, Dmitrii V. ; Chen, Wuhao ; Huang, Xiaoli...
Advanced Materials. 34 (2022) 27 - p. , 2022

Link: https://doi.org/10.1002/..

12

"Self-trapping" in solar cell hybrid inorganic-organic pero..:

Tantardini, Christian ; Kokott, Sebastian ; Gonze, Xavier..
Applied Materials Today. 26 (2022) - p. 101380 , 2022

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

13

Band gap bowing and spectral width of Ga(1−x)InxN alloys fo..:

Tantardini, Christian ; Gonze, Xavier
Physica B: Condensed Matter. 625 (2022) - p. 413481 , 2022

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

14

Importance of Long‐Range Channel Sr Displacements for the N..:

Bouquiaux, Julien ; Poncé, Samuel ; Jia, Yongchao...
Advanced Optical Materials. 9 (2021) 20 - p. , 2021

Link: https://doi.org/10.1002/..

15

Computational Modeling of 2D Materials under High Pressure ..:

Tantardini, Christian ; Kvashnin, Alexander G. ; Gatti, Carlo..
ACS Nano. 15 (2021) 4 - p. 6861-6871 , 2021

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