Publications by authors named "Damien Caliste"

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The CECAM electronic structure library and the modular software development paradigm.
Micael J T Oliveira, Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste

J Chem Phys· July 2020

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Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations.
Laura E Ratcliff, William Dawson, Giuseppe Fisicaro, Damien Caliste, Stephan Mohr

J Chem Phys· May 2020

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ABINIT: Overview and focus on selected capabilities.
Aldo H Romero, Douglas C Allan, Bernard Amadon, Gabriel Antonius, Thomas Applencourt, Damien Caliste

J Chem Phys· March 2020

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Mg and In Codoped p-type AlN Nanowires for pn Junction Realization.
Alexandra-Madalina Siladie, Gwénolé Jacopin, Ana Cros, Nuria Garro, Eric Robin, Damien Caliste

Nano Lett· December 2019

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Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library.
Stephan Mohr, William Dawson, Michael Wagner, Damien Caliste, Takahito Nakajima

J Chem Theory Comput· October 2017

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Reproducibility in density functional theory calculations of solids.
Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman, Peter Blaha, Stefan Blügel, Damien Caliste

Science· March 2016

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Accurate and efficient linear scaling DFT calculations with universal applicability.
Stephan Mohr, Laura E Ratcliff, Luigi Genovese, Damien Caliste, Paul Boulanger

Phys Chem Chem Phys· December 2015

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Daubechies wavelets for linear scaling density functional theory.
Stephan Mohr, Laura E Ratcliff, Paul Boulanger, Luigi Genovese, Damien Caliste

J Chem Phys· May 2014

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Crystal structure of cold compressed graphite.
Maximilian Amsler, José A Flores-Livas, Lauri Lehtovaara, Felix Balima, S Alireza Ghasemi, Damien Caliste

Phys Rev Lett· February 2012

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Optimized energy landscape exploration using the ab initio based activation-relaxation technique.
Eduardo Machado-Charry, Laurent Karim Béland, Damien Caliste, Luigi Genovese, Thierry Deutsch

J Chem Phys· July 2011

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Superglide at an internal incommensurate boundary.
Frédéric Lançon, Jia Ye, Damien Caliste, Tamara Radetic, Andrew M Minor

Nano Lett· February 2010

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Daubechies wavelets as a basis set for density functional pseudopotential calculations.
Luigi Genovese, Alexey Neelov, Stefan Goedecker, Thierry Deutsch, Seyed Alireza Ghasemi, Damien Caliste

J Chem Phys· July 2008

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Vacancy-assisted diffusion in silicon: a three-temperature-regime model.
Damien Caliste, Pascal Pochet

Phys Rev Lett· September 2006

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