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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.
Published in Computer physics communications (01.02.2022)
Published in Computer physics communications (01.02.2022)
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VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code
Wang, Vei, Xu, Nan, Liu, Jin-Cheng, Tang, Gang, Geng, Wen-Tong
Published in Computer physics communications (01.10.2021)
Published in Computer physics communications (01.10.2021)
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Integral reduction with Kira 2.0 and finite field methods
Klappert, Jonas, Lange, Fabian, Maierhöfer, Philipp, Usovitsch, Johann
Published in Computer physics communications (01.09.2021)
Published in Computer physics communications (01.09.2021)
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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.
Published in Computer physics communications (01.03.2020)
Published in Computer physics communications (01.03.2020)
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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.
Published in Computer physics communications (01.03.2018)
Published in Computer physics communications (01.03.2018)
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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.
Published in Computer physics communications (01.02.2020)
Published in Computer physics communications (01.02.2020)
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The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
van Setten, M.J., Giantomassi, M., Bousquet, E., Verstraete, M.J., Hamann, D.R., Gonze, X., Rignanese, G.-M.
Published in Computer physics communications (01.05.2018)
Published in Computer physics communications (01.05.2018)
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FeynCalc 9.3: New features and improvements
Shtabovenko, Vladyslav, Mertig, Rolf, Orellana, Frederik
Published in Computer physics communications (01.11.2020)
Published in Computer physics communications (01.11.2020)
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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.
Published in Computer physics communications (01.10.2018)
Published in Computer physics communications (01.10.2018)
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DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
Wang, Han, Zhang, Linfeng, Han, Jiequn, E, Weinan
Published in Computer physics communications (01.07.2018)
Published in Computer physics communications (01.07.2018)
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FourPhonon: An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
Han, Zherui, Yang, Xiaolong, Li, Wu, Feng, Tianli, Ruan, Xiulin
Published in Computer physics communications (01.01.2022)
Published in Computer physics communications (01.01.2022)
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The Abinit project: 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 Al, Martin, Alexandre, Martins, Cyril, Miranda, Henrique Pc, Naccarato, Francesco, Persson, Kristin A, Petretto, Guido, Planes, Valentin, Pouillon, Yann, Prokhorenko, Sergei, Ricci, Fabio, Rignanese, Gian-Marco, Romero, Aldo H, Schmitt, Michael Marcus, Torrent, Marc, Setten, Michiel J Van, Troeye, Benoit Van, Verstraete, Matthieu J, Zérah, Gilles, Zwanziger, Josef W
Published in Computer physics communications (2020)
Published in Computer physics communications (2020)
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micrOMEGAs5.0 : Freeze-in
Bélanger, G., Boudjema, F., Goudelis, A., Pukhov, A., Zaldívar, B.
Published in Computer physics communications (01.10.2018)
Published in Computer physics communications (01.10.2018)
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Thick-restart block Lanczos method for large-scale shell-model calculations
Shimizu, Noritaka, Mizusaki, Takahiro, Utsuno, Yutaka, Tsunoda, Yusuke
Published in Computer physics communications (01.11.2019)
Published in Computer physics communications (01.11.2019)
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PyProcar: A Python library for electronic structure pre/post-processing
Herath, Uthpala, Tavadze, Pedram, He, Xu, Bousquet, Eric, Singh, Sobhit, Muñoz, Francisco, Romero, Aldo H.
Published in Computer physics communications (01.06.2020)
Published in Computer physics communications (01.06.2020)
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