ABINIT: Overview and focus on selected capabilities.

Aldo H. Romero , Douglas C. Allan , Bernard Amadon , Gabriel Antonius
Journal of Chemical Physics 152 ( 12) 124102

140
2020
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

Florian Brown-Altvater , Gabriel Antonius , Tonatiuh Rangel , Matteo Giantomassi
Physical Review B 101 ( 16) 165102

1
2020
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction.

Yannick Gillet , Stefan Kontur , Matteo Giantomassi , Claudia Draxl
Scientific Reports 7 ( 1) 7344

12
2017
Efficient on-the-fly interpolation technique for Bethe–Salpeter calculations of optical spectra

Yannick Gillet , Matteo Giantomassi , Xavier Gonze
Computer Physics Communications 203 83 -93

9
2016
Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles

Samuel Poncé , Yongchao Jia , Matteo Giantomassi , Masayoshi Mikami
Journal of Physical Chemistry C 120 ( 7) 4040 -4047

60
2016
The Abinit project: Impact, environment and recent developments

Xavier Gonze , Bernard Amadon , Gabriel Antonius , Frédéric Arnardi
Computer Physics Communications 248 107042

294
2020
First-principles study of excitonic effects in Raman intensities

Yannick Gillet , Matteo Giantomassi , Xavier Gonze
Physical Review B 88 ( 9) 094305

35
2013
Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap

Anna Miglio , Véronique Brousseau-Couture , Emile Godbout , Gabriel Antonius
npj Computational Materials 6 ( 1) 167

52
2020
First-principles study of paraelectric and ferroelectric CsH2PO4 including dispersion forces: Stability and related vibrational, dielectric, and elastic properties

Benoit Van Troeye , Michiel Jan van Setten , Matteo Giantomassi , Marc Torrent
Physical Review B 95 ( 2) 024112

13
2017
Updates on high-throughput DFPT

Guido Petretto , Shyam Dwaraknath , Henrique PC Miranda , Donald Winston
Smpte Journal

Assessing the quality of relaxation-time approximations with fully automated computations of phonon-limited mobilities

Romain Claes , Guillaume Brunin , Matteo Giantomassi , Gian-Marco Rignanese
Physical Review B 106 ( 9) 094302

2022
Roadmap on electronic structure codes in the exascale era

Vikram Gavini , Stefano Baroni , Volker Blum , David R Bowler
Modelling and Simulation in Materials Science and Engineering 31 ( 6) 063301 -063301

24
2022
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Emanuele Bosoni , Louis Beal , Marnik Bercx , Peter Blaha
Nature Reviews Physics 6 ( 1) 45 -58

10
2024
Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo

Christian Tantardini , Miroslav Iliaš , Matteo Giantomassi , Alexander G Kvashnin
Computer Physics Communications 295 109002 -109002

1
2024
OPTIMADE, an API for exchanging materials data

Casper W Andersen , Rickard Armiento , Evgeny Blokhin , Gareth J Conduit
Scientific Data 8 217 -217

84
2021
What is the G {sup 0} W {sup 0} band gap of ZnO?

Martin Stankovski , David Waroquiers , Anna Miglio , Matteo Giantomassi
Verhandlungen der Deutschen Physikalischen Gesellschaft

2011
Ab initio studies of electron-phonon coupling to the electron self-energy in organic crystals

Florian Brown-Altvater , Gabriel Antonius , Tonatiuh Rangel Gordillo , Matteo Giantomassi
APS March Meeting Abstracts 2019 L22. 007 -L22. 007

2019
The role of electron-phonon coupling on optoelectronic properties of crystalline naphthalene from first principles

Florian Brown-Altvater , Gabriel Antonius , Tonatiuh Rangel Gordillo , Matteo Giantomassi
APS March Meeting Abstracts 2018 R29. 012 -R29. 012

2018
ABINIT: First-principles approach to material and nanosystem properties

Xavier Gonze , Bernard Amadon , P-M Anglade , J-M Beuken
Computer Physics Communications 180 ( 12) 2582 -2615

2,873
2009
Recent developments in the ABINIT software package

Xavier Gonze , François Jollet , F Abreu Araujo , Donat Adams
Computer Physics Communications 205 106 -131

692
2016