Xavier Gonze
Université Catholique de Louvain
H-index: 84
Europe-Belgium
Top articles of Xavier Gonze
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations | arXiv preprint arXiv:2403.06709 | Maryam Azizi Jan Wilhelm Dorothea Golze Francisco A Delesma Ramón L Panadés-Barruet | 2024/3/11 |
Variational Polaron Equations Applied to the Generalized Fröhlich Model | Bulletin of the American Physical Society | Vasilii Vasilchenko Bogdan Guster Xavier Gonze | 2024/3/4 |
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo | Computer Physics Communications | Christian Tantardini Miroslav Iliaš Matteo Giantomassi Alexander G Kvashnin Valeria Pershina | 2024/2/1 |
Variational density functional perturbation theory for metals | Physical Review B | Xavier Gonze Samare Rostami Christian Tantardini | 2024/1/30 |
Large cylindrical polaron in orthorhombic SnSe: A theoretical study | Physical Review Materials | Bogdan Guster Vasilii Vasilchenko Maryam Azizi Matteo Giantomassi Xavier Gonze | 2023/6/30 |
Surface Enhanced Infrared Absorption mechanism and modification of the plasmonic response | Journal of Physics: Photonics | Tanguy Colleu Adam Fekete Xavier J Gonze Alexandre Cloots Vincent Liégeois | 2023/11/6 |
Orbital magnetism and chemical shielding in the projector augmented-wave formalism | Physical Review B | JW Zwanziger M Torrent Xavier Gonze | 2023/4/28 |
Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations | Journal of Open Source Software | Maryam Azizi Jan Wilhelm Dorothea Golze Matteo Giantomassi Ramón L Panadés-Barrueta | 2023/10/3 |
Effect of spin-orbit coupling on the zero-point renormalization of the electronic band gap in cubic materials: First-principles calculations and generalized Fröhlich model | Physical Review B | Véronique Brousseau-Couture Xavier Gonze Michel Côté | 2023/3/30 |
High-throughput analysis of Fröhlich-type polaron models | npj Computational Materials | Pedro Miguel MC de Melo Joao C de Abreu Bogdan Guster Matteo Giantomassi Zeila Zanolli | 2023/8/18 |
Electronic properties of functionalized diamanes for field-emission displays | ACS Applied Materials & Interfaces | Christian Tantardini Alexander G Kvashnin Maryam Azizi Xavier Gonze Carlo Gatti | 2023/3/16 |
Roadmap on electronic structure codes in the exascale era | Modelling and Simulation in Materials Science and Engineering | Vikram Gavini Stefano Baroni Volker Blum David R Bowler Alexander Buccheri | 2023/8/7 |
Numerical modeling of hydrogen absorption in metal hydrides | APS March Meeting Abstracts | Olivier Nadeau Gabriel Antonius X Gonze | 2023 |
A First-Principles Explanation of the Luminescent Line Shape of SrLiAl3N4:Eu2+ Phosphor for Light-Emitting Diode Applications | Chemistry of Materials | Julien Bouquiaux Samuel Poncé Yongchao Jia Anna Miglio Masayoshi Mikami | 2023/7/6 |
Erratum: Fröhlich polaron effective mass and localization length in cubic materials: Degenerate and anisotropic electronic bands [Phys. Rev. B 104, 235123 (2021)] | Physical Review B | Bogdan Guster Pedro Melo Bradley AA Martin Véronique Brousseau-Couture Joao C De Abreu | 2022/3/11 |
“Self-trapping” in solar cell hybrid inorganic-organic perovskite absorbers | Applied Materials Today | Christian Tantardini Sebastian Kokott Xavier Gonze Sergey V Levchenko Wissam A Saidi | 2022/3/1 |
Zero-point lattice expansion and band gap renormalization: Grüneisen approach versus free energy minimization | Physical Review B | Véronique Brousseau-Couture Émile Godbout Michel Côté Xavier Gonze | 2022/8/29 |
Band gap bowing and spectral width of Ga (1− x) InxN alloys for modelling light emitting diodes | Physica B: Condensed Matter | Christian Tantardini Xavier Gonze | 2022/1/15 |
Sr‐Doped Superionic Hydrogen Glass: Synthesis and Properties of SrH22 | Advanced Materials | Dmitrii V Semenok Wuhao Chen Xiaoli Huang Di Zhou Ivan A Kruglov | 2022/7 |
Spectroscopic signatures of nonpolarons: the case of diamond | Physical Chemistry Chemical Physics | Joao C de Abreu Jean Paul Nery Matteo Giantomassi Xavier Gonze Matthieu J Verstraete | 2022 |
Co-Authors
