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The Abinitproject: Impact, environment and recent developments
The Abinitproject: Impact, environment and recent developments
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The Abinitproject: Impact, environment and recent developments

Gonze, Xavier ; Amadon, Bernard ; Antonius, Gabriel ; Arnardi, Frédéric ; Baguet, Lucas ; Beuken, Jean-Michel ; Bieder, Jordan ; Bottin, François ; Bouchet, Johann ; Bousquet, Eric ; Brouwer, Nils ; Bruneval, Fabien ; Brunin, Guillaume ; Cavignac, Théo ; Charraud, Jean-Baptiste ; Chen, Wei ; Côté, Michel ; Cottenier, Stefaan ; Denier, Jules ; Geneste, Grégory ; Ghosez, Philippe ; Giantomassi, Matteo ; Gillet, Yannick ; Gingras, Olivier ; Hamann, Donald R. ; Hautier, Geoffroy ; He, Xu ; Helbig, Nicole ; Holzwarth, Natalie ; Jia, Yongchao ; Jollet, François ; Lafargue-Dit-Hauret, William ; Lejaeghere, Kurt ; Marques, Miguel A.L. ; Martin, Alexandre ; Martins, Cyril ; Miranda, Henrique P.C. ; Naccarato, Francesco ; Persson, Kristin ; Petretto, Guido ; Planes, Valentin ; Pouillon, Yann ; Prokhorenko, Sergei ; Ricci, Fabio ; Rignanese, Gian-Marco ; Romero, Aldo H. ; Schmitt, Michael Marcus ; Torrent, Marc ; van Setten, Michiel J. ; Van Troeye, Benoit ; Verstraete, Matthieu J. ; Zérah, Gilles ; Zwanziger, Josef W.

Computer physics communications, 2020-03, Vol.248 (C), p.107042, Article 107042 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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2
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Thompson, Aidan P. ; Aktulga, H. Metin ; Berger, Richard ; Bolintineanu, Dan S. ; Brown, W. Michael ; Crozier, Paul S. ; in 't Veld, Pieter J. ; Kohlmeyer, Axel ; Moore, Stan G. ; Nguyen, Trung Dac ; Shan, Ray ; Stevens, Mark J. ; Tranchida, Julien ; Trott, Christian ; Plimpton, Steven J.

Computer physics communications, 2022-02, Vol.271 (C), p.108171, Article 108171 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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3
FeynCalc 9.3: New features and improvements
FeynCalc 9.3: New features and improvements
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FeynCalc 9.3: New features and improvements

Shtabovenko, Vladyslav ; Mertig, Rolf ; Orellana, Frederik

Computer physics communications, 2020-11, Vol.256, p.107478, Article 107478 [Periódico revisado por pares]

Elsevier B.V

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4
WannierTools: An open-source software package for novel topological materials
WannierTools: An open-source software package for novel topological materials
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WannierTools: An open-source software package for novel topological materials

Wu, QuanSheng ; Zhang, ShengNan ; Song, Hai-Feng ; Troyer, Matthias ; Soluyanov, Alexey A.

Computer physics communications, 2018-03, Vol.224, p.405-416 [Periódico revisado por pares]

Elsevier B.V

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5
DScribe: Library of descriptors for machine learning in materials science
DScribe: Library of descriptors for machine learning in materials science
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DScribe: Library of descriptors for machine learning in materials science

Himanen, Lauri ; Jäger, Marc O.J. ; Morooka, Eiaki V. ; Federici Canova, Filippo ; Ranawat, Yashasvi S. ; Gao, David Z. ; Rinke, Patrick ; Foster, Adam S.

Computer physics communications, 2020-02, Vol.247, p.106949, Article 106949 [Periódico revisado por pares]

Elsevier B.V

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6
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients
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BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients

Madsen, Georg K.H. ; Carrete, Jesús ; Verstraete, Matthieu J.

Computer physics communications, 2018-10, Vol.231, p.140-145 [Periódico revisado por pares]

Elsevier B.V

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7
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
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DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models

Zhang, Yuzhi ; Wang, Haidi ; Chen, Weijie ; Zeng, Jinzhe ; Zhang, Linfeng ; Wang, Han ; E, Weinan

Computer physics communications, 2020-08, Vol.253 (C), p.107206, Article 107206 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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8
Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh
Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh
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Implementing molecular dynamics on hybrid high performance computers – Particle–particle particle-mesh

Brown, W. Michael ; Kohlmeyer, Axel ; Plimpton, Steven J. ; Tharrington, Arnold N.

Computer physics communications, 2012-03, Vol.183 (3), p.449-459 [Periódico revisado por pares]

United States: Elsevier B.V

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9
Package-X 2.0: A Mathematica package for the analytic calculation of one-loop integrals
Package-X 2.0: A Mathematica package for the analytic calculation of one-loop integrals
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Package-X 2.0: A Mathematica package for the analytic calculation of one-loop integrals

Patel, Hiren H.

Computer physics communications, 2017-09, Vol.218, p.66-70 [Periódico revisado por pares]

Elsevier B.V

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10
almaBTE : A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials
almaBTE : A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials
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almaBTE : A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials

Carrete, Jesús ; Vermeersch, Bjorn ; Katre, Ankita ; van Roekeghem, Ambroise ; Wang, Tao ; Madsen, Georg K.H. ; Mingo, Natalio

Computer physics communications, 2017-11, Vol.220, p.351-362 [Periódico revisado por pares]

Elsevier B.V

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