受强制性开放获取政策约束的文章 - Xavier Gonze了解详情
无法在其他位置公开访问的文章：1 篇
Large cylindrical polaron in orthorhombic SnSe: A theoretical study
B Guster, V Vasilchenko, M Azizi, M Giantomassi, X Gonze
Physical Review Materials 7 (6), 064604, 2023
强制性开放获取政策： National Fund for Scientific Research, Belgium
可在其他位置公开访问的文章：87 篇
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ...
Computer Physics Communications 226, 39-54, 2018
强制性开放获取政策： National Fund for Scientific Research, Belgium
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer physics communications 205, 106-131, 2016
强制性开放获取政策： National Fund for Scientific Research, Belgium, Natural Sciences and …
Identification and design principles of low hole effective mass p-type transparent conducting oxides
G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze
Nature communications 4 (1), 2292, 2013
强制性开放获取政策： Research Foundation (Flanders)
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy, National Fund for …
Incipient metals: functional materials with a unique bonding mechanism
M Wuttig, VL Deringer, X Gonze, C Bichara, JY Raty
Advanced Materials 30 (51), 1803777, 2018
强制性开放获取政策： National Fund for Scientific Research, Belgium, German Research Foundation
ABINIT: Overview and focus on selected capabilities
AH Romero, DC Allan, B Amadon, G Antonius, T Applencourt, L Baguet, ...
The Journal of chemical physics 152 (12), 2020
强制性开放获取政策： US National Science Foundation, US Department of Energy, National Fund for …
Many-body effects on the zero-point renormalization of the band structure
G Antonius, S Poncé, P Boulanger, M Côté, X Gonze
Physical Review Letters 112 (21), 215501, 2014
强制性开放获取政策： National Fund for Scientific Research, Belgium
Temperature dependence of the electronic structure of semiconductors and insulators
S Poncé, Y Gillet, J Laflamme Janssen, A Marini, M Verstraete, X Gonze
The Journal of Chemical Physics 143 (10), 2015
强制性开放获取政策： National Fund for Scientific Research, Belgium, Government of Italy
High-throughput density-functional perturbation theory phonons for inorganic materials
G Petretto, S Dwaraknath, H PC Miranda, D Winston, M Giantomassi, ...
Scientific data 5 (1), 1-12, 2018
强制性开放获取政策： US Department of Energy, National Fund for Scientific Research, Belgium …
Statistical analysis of coordination environments in oxides
D Waroquiers, X Gonze, GM Rignanese, C Welker-Nieuwoudt, ...
Chemistry of Materials 29 (19), 8346-8360, 2017
强制性开放获取政策： National Fund for Scientific Research, Belgium
How does chemistry influence electron effective mass in oxides? A high-throughput computational analysis
G Hautier, A Miglio, D Waroquiers, GM Rignanese, X Gonze
Chemistry of Materials 26 (19), 5447-5458, 2014
强制性开放获取政策： National Fund for Scientific Research, Belgium, Research Foundation (Flanders)
Atypical Exciton–Phonon Interactions in WS2 and WSe2 Monolayers Revealed by Resonance Raman Spectroscopy
E del Corro, A Botello-Méndez, Y Gillet, AL Elias, H Terrones, S Feng, ...
Nano letters 16 (4), 2363-2368, 2016
强制性开放获取政策： US National Science Foundation, National Fund for Scientific Research, Belgium
High-Mobility Bismuth-based Transparent p-Type Oxide from High-Throughput Material Screening
A Bhatia, G Hautier, T Nilgianskul, A Miglio, J Sun, HJ Kim, KH Kim, ...
Chemistry of Materials 28 (1), 30-34, 2016
强制性开放获取政策： US National Science Foundation, National Fund for Scientific Research, Belgium
Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure
G Antonius, S Poncé, E Lantagne-Hurtubise, G Auclair, X Gonze, M Côté
Physical Review B 92 (8), 085137, 2015
强制性开放获取政策： National Fund for Scientific Research, Belgium, Natural Sciences and …
Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation
S Poncé, G Antonius, Y Gillet, P Boulanger, J Laflamme Janssen, A Marini, ...
Physical Review B 90 (21), 214304, 2014
强制性开放获取政策： National Fund for Scientific Research, Belgium, Government of Italy
When density functional approximations meet iron oxides
Y Meng, XW Liu, CF Huo, WP Guo, DB Cao, Q Peng, A Dearden, X Gonze, ...
Journal of chemical theory and computation 12 (10), 5132-5144, 2016
强制性开放获取政策： 中国科学院, 国家自然科学基金委员会
Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT …
S Poncé, G Antonius, P Boulanger, E Cannuccia, A Marini, M Côté, ...
Computational materials science 83, 341-348, 2014
强制性开放获取政策： National Fund for Scientific Research, Belgium, Government of Italy
Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory
D Waroquiers, A Lherbier, A Miglio, M Stankovski, S Poncé, MJT Oliveira, ...
Physical Review B—Condensed Matter and Materials Physics 87 (7), 075121, 2013
强制性开放获取政策： Research Foundation (Flanders)
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