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

Xavier Gonze

Christian Tantardini Miroslav Ilias Matteo Giantomassi Alexander G. Kvashnin Valeria Pershina Xavier Gonze Generating and grading 34 optimised norm-conserving Vanderbilt pseudopotentials for actinides and super-heavy elements in the PseudoDojo. 109002 2024 295 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2023.109002 db/journals/cphysics/cphysics295.html#TantardiniIGKPG24

Maryam Azizi Jan Wilhelm Dorothea Golze Matteo Giantomassi Ramón L. Panadés-Barrueta Francisco A. Delesma Alexander Buccheri Andris Gulans Patrick Rinke Claudia Draxl Xavier Gonze Time-frequency component of the GreenX library: minimax grids for efficient RPA and \textit{GW} calculations. 5570 2023 October 8 J. Open Source Softw. 90 https://doi.org/10.21105/joss.05570 https://www.wikidata.org/entity/Q131387985 db/journals/jossw/jossw8.html#AziziWGGPDBGRDG23

Xavier Gonze Bernard Amadon Gabriel Antonius Frédéric Arnardi Lucas Baguet Jean-Michel Beuken Jordan Bieder François Bottin Johann Bouchet Eric Bousquet Nils Brouwer Fabien Bruneval Guillaume Brunin Théo Cavignac Jean-Baptiste Charraud Wei Chen 0069 Michel Côté Stefaan Cottenier Josef W. Zwanziger The Abinit project: Impact, environment and recent developments. 107042 2020 248 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2019.107042 https://www.wikidata.org/entity/Q115188540 db/journals/cphysics/cphysics248.html#GonzeAAABBBBBBB20

Michiel J. van Setten Matteo Giantomassi Eric Bousquet Matthieu J. Verstraete Don R. Hamann Xavier Gonze Gian-Marco Rignanese The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table. 39-54 2018 226 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2018.01.012 https://www.wikidata.org/entity/Q59903226 db/journals/cphysics/cphysics226.html#SettenGBVHGR18

Yannick Gillet Matteo Giantomassi Xavier Gonze Efficient on-the-fly interpolation technique for Bethe-Salpeter calculations of optical spectra. 83-93 2016 203 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2016.02.008 db/journals/cphysics/cphysics203.html#GilletGG16

Xavier Gonze François Jollet Flavio Abreu Araujo Donat Adams Bernard Amadon Thomas Applencourt Christophe Audouze Jean-Michel Beuken Jordan Bieder A. Bokhanchuk Eric Bousquet Fabien Bruneval Damien Caliste Michel Côté Florent Dahm Fabiana Da Pieve Muriel Delaveau Marco Di Gennaro 0002 Boris Dorado Camilo Espejo Grégory Geneste Luigi Genovese Alexis Gerossier Matteo Giantomassi Yannick Gillet Don R. Hamann Lianhua He Gerald Jomard Jonathan Laflamme Janssen Stéphane Le Roux 0002 Antoine Levitt Aurelien Lherbier Fang Liu Igor Lukacevic Alexandre Martin Cyril Martins Micael J. T. Oliveira Samuel Poncé Yann Pouillon Tonatiuh Rangel Gian-Marco Rignanese Aldo H. Romero B. Rousseau Oleg Rubel Abdullah A. Shukri Martin Stankovski Marc Torrent 0001 Michiel J. van Setten B. Van Troeye Matthieu J. Verstraete David Waroquiers Julia Wiktor Bin Xu 0011 Aihui Zhou Joe W. Zwanziger Recent developments in the ABINIT software package. 106-131 2016 205 Comput. Phys. Commun. https://doi.org/10.1016/j.cpc.2016.04.003 https://www.wikidata.org/entity/Q56866570 db/journals/cphysics/cphysics205.html#GonzeJAAAAABBBB16

Camilo Espejo Tonatiuh Rangel Yann Pouillon Aldo H. Romero Xavier Gonze Wannier functions approach to van der Waals interactions in ABINIT. 480-485 2012 183 Comput. Phys. Commun. 3 https://doi.org/10.1016/j.cpc.2011.11.003 https://www.wikidata.org/entity/Q64018275 db/journals/cphysics/cphysics183.html#EspejoRPRG12

Anne Matsuura Nicola Thrupp Xavier Gonze Yann Pouillon Gaelle Bruant Giovanni Onida The ETSF: An e-Infrastructure That Bridges Simulations and Experiments. 22-32 2012 14 Comput. Sci. Eng. 1 https://doi.org/10.1109/MCSE.2011.76 http://doi.ieeecomputersociety.org/10.1109/MCSE.2011.76 https://www.wikidata.org/entity/Q64018274 db/journals/cse/cse14.html#MatsuuraTGPBO12

Yann Pouillon Jean-Michel Beuken Thierry Deutsch Marc Torrent 0001 Xavier Gonze Organizing Software Growth and Distributed Development: The Case of Abinit. 62-69 2011 13 Comput. Sci. Eng. 1 https://doi.org/10.1109/MCSE.2011.13 http://doi.ieeecomputersociety.org/10.1109/MCSE.2011.13 https://www.wikidata.org/entity/Q64018276 db/journals/cse/cse13.html#PouillonBDTG11

Xavier Gonze Bernard Amadon Pierre-Matthieu Anglade Jean-Michel Beuken François Bottin Paul Boulanger Fabien Bruneval Damien Caliste Razvan Caracas Michel Côté Thierry Deutsch Luigi Genovese Philippe Ghosez Matteo Giantomassi Stefan Goedecker Don R. Hamann Patrick Hermet François Jollet Gerald Jomard Stéphane Le Roux 0002 Marco Mancini Stephane Mazevet Micael J. T. Oliveira Giovanni Onida Yann Pouillon Tonatiuh Rangel Gian-Marco Rignanese Davide Sangalli Riad Shaltaf Marc Torrent 0001 Matthieu J. Verstraete Gilles Zérah Joe W. Zwanziger ABINIT: First-principles approach to material and nanosystem properties. 2582-2615 2009 180 Comput. Phys. Commun. 12 https://doi.org/10.1016/j.cpc.2009.07.007 https://www.wikidata.org/entity/Q56866569 db/journals/cphysics/cphysics180.html#GonzeAABBBBCCCDGGGGHHJJL09

Damien Caliste Yann Pouillon Matthieu J. Verstraete V. Olevano Xavier Gonze Sharing electronic structure and crystallographic data with ETSF_IO. 748-758 2008 179 Comput. Phys. Commun. 10 https://doi.org/10.1016/j.cpc.2008.05.007 https://www.wikidata.org/entity/Q64018279 db/journals/cphysics/cphysics179.html#CalistePVOG08

Xavier Gonze C.-O. Almbladh Andrea Cucca Damien Caliste C. Freysoldt M. A. L. Marques V. Olevano Yann Pouillon Matthieu J. Verstraete Specification of an extensible and portable file format for electronic structure and crystallographic data http://arxiv.org/abs/0805.0192 2008 CoRR abs/0805.0192 db/journals/corr/corr0805.html#abs-0805-0192

Donat Adams C.-O. Almbladh Bernard Amadon Claudia Ambrosch-DraxlClaudia Draxl Pierre-Matthieu Anglade Gabriel Antonius Thomas Applencourt Flavio Abreu Araujo Frédéric Arnardi Christophe Audouze Maryam Azizi Lucas Baguet Jean-Michel Beuken Jordan Bieder A. Bokhanchuk François Bottin Johann Bouchet Paul Boulanger Eric Bousquet Nils Brouwer Gaelle Bruant Fabien Bruneval Guillaume Brunin Alexander Buccheri Damien Caliste Razvan Caracas Théo Cavignac Jean-Baptiste Charraud Wei Chen 0069 Michel Côté Stefaan Cottenier Andrea Cucca Florent Dahm Muriel Delaveau Francisco A. Delesma Thierry Deutsch Boris Dorado Camilo Espejo C. Freysoldt Grégory Geneste Marco Di Gennaro 0002 Luigi Genovese Alexis Gerossier Philippe Ghosez Matteo Giantomassi Yannick Gillet Stefan Goedecker Dorothea Golze Andris Gulans Don R. Hamann Lianhua He Patrick Hermet Miroslav Ilias Jonathan Laflamme Janssen François Jollet Gerald Jomard Alexander G. Kvashnin Antoine Levitt Aurelien Lherbier Fang Liu Igor Lukacevic Marco Mancini M. A. L. Marques Alexandre Martin Cyril Martins Anne Matsuura Stephane Mazevet V. Olevano Micael J. T. Oliveira Giovanni Onida Ramón L. Panadés-Barrueta Valeria Pershina Fabiana Da Pieve Samuel Poncé Yann Pouillon Tonatiuh Rangel Gian-Marco Rignanese Patrick Rinke Aldo H. Romero B. Rousseau Stéphane Le Roux 0002 Oleg Rubel Davide Sangalli Michiel J. van Setten Riad Shaltaf Abdullah A. Shukri Martin Stankovski Christian Tantardini Nicola Thrupp Marc Torrent 0001 B. Van Troeye Matthieu J. Verstraete David Waroquiers Julia Wiktor Jan Wilhelm Bin Xu 0011 Gilles Zérah Aihui Zhou Josef W. ZwanzigerJoe W. Zwanziger