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Found 37 Software Packages (Results 1–37)

ABINIT

Cited in 57 Documents (2004–2023)
Software Authors: 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.; Marcus Schmitt, Michael; Torrent, Marc; van Setten, Michiel J.; Van Troeye, Benoit; Verstraete, Matthieu J.; Zérah, Gilles; Zwanziger, Josef W.
Related Software: Quantum Espresso; CASTEP; CheFSI; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

Wannier90

Cited in 21 Documents (2008–2023)
Software Authors: Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari
Related Software: Quantum Espresso; WIEN2k; ABINIT; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX); …

ONETEP

Cited in 16 Documents (2007–2023)
Software Authors: Dr Peter Haynes; Dr Nicholas Hine; Dr Arash Mostofi; Prof Mike Payne; Dr Chris-Kriton Skylaris
Related Software: SIESTA; ABINIT; CONQUEST; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX); …

CheFSI

Cited in 16 Documents (2014–2022)
Software Authors: Zhou, Yunkai; Chelikowsky, James R.; Saad, Yousef
Related Software: ABINIT; Quantum Espresso; ClusterES; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Optics, electromagnetic theory (78-XX); …

ClusterES

Cited in 11 Documents (2015–2023)
Software Authors: Banerjee, Amartya S.; Elliott, Ryan S.; James, Richard D.
Related Software: CheFSI; ABINIT; Quantum Espresso; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

BigDFT

Cited in 5 Documents (2011–2021)
Software Authors: Genovese, Luigi; Videau, Brice; Ospici, Matthieu; Deutsch, Thierry; Goedecker, Stefan; Méhaut, Jean-François
Related Software: ABINIT; PETSc; APE; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

PROFESS

Cited in 6 Documents (2010–2018)
Software Authors: Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.
Related Software: Quantum Espresso; CASTEP; ABINIT
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX); …

COKOSNUT

Cited in 4 Documents (2017–2022)
Software Authors: Sprengel, M.; Ciaramella, G.; Borzì, A.
Related Software: OCTOPUS; Libxc; Matlab
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Quantum theory (81-XX); …

Cucheb

Cited in 3 Documents (2017–2019)
Software Authors: Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef
Related Software: SparseMatrix; CUSPARSE; CUBLAS; …
Main Fields: Combinatorics (05-XX); Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX)

Dftatom

Cited in 3 Documents (2013–2020)
Software Authors: Čertík, Ondřej; Pask, John E.; Vackář, Jiří
Related Software: Libxc; Dalton; DFT-FE; …
Main Fields: Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX); Quantum theory (81-XX); …

Ergo

Cited in 2 Documents (2021)
Software Authors: Elias Rudberg; Emanuel H. Rubensson; Paweł Sałek; Anastasia Kruchinina
Related Software: Gabedit; SpAMM
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

Plato

Cited in 3 Documents (2009–2019)
Software Authors: Kenny, S.D.; Horsfield, A.P.
Related Software: ABINIT; SciPy; SIESTA; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

Pwpaw

Cited in 3 Documents (2001–2019)
Software Authors: Tackett, A. R.; Holzwarth, N. A. W.; Matthews, G. E.
Related Software: AtomPAW; Quantum Espresso; ABINIT; …
Main Fields: Special functions (33-XX); Computer science (68-XX); Quantum theory (81-XX); …

RESCU

Cited in 3 Documents (2016–2021)
Software Authors: Michaud-Rioux, Vincent; Zhang, Lei; Guo, Hong
Related Software: CheFSI; ClusterES; fhi98PP; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

DeePKS-kit

Cited in 1 Document (2022)
Software Authors: Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E
Related Software: GELUs; DP-GEN; Adam; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)

OptaDOS

Cited in 1 Document (2014)
Software Authors: Morris, Andrew J.; Nicholls, Rebecca J.; Pickard, Chris J.; Yates, Jonathan R.
Related Software: CASTEP; python-ternary; Spglib; …
Main Fields: Statistical mechanics, structure of matter (82-XX)

Questaal

Cited in 2 Documents (2019–2020)
Software Authors: Mark van Schilfgaarde; et al.
Related Software: FLEUR; WIEN2k; ecalj; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX); Information and communication theory, circuits (94-XX)

TurboEELS

Cited in 2 Documents (2015–2018)
Software Authors: Timrov, Iurii; Vast, Nathalie; Gebauer, Ralph; Baroni, Stefano
Related Software: turboTDDFT; Quantum Espresso; turboTDDFT 2.0; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)

turboTDDFT

Cited in 2 Documents (2011–2015)
Software Authors: Malcıoğlu, Osman Barış; Gebauer, Ralph; Rocca, Dario; Baroni, Stefano
Related Software: Quantum Espresso; FFTW; LAPACK; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX); …

ab-initio

Cited in 1 Document (2018)
Software Authors: Gulian, Mamikon; Melkonyan, Gurgen; Kasthurirengan, Sakthisundar
Related Software: ABINIT
Main Fields: Statistical mechanics, structure of matter (82-XX)

ATLAS

Cited in 1 Document (2016)
Software Authors: Mi, Wenhui; Shao, Xuecheng; Su, Chuanxun; Zhou, Yuanyuan; Zhang, Shoutao; Li, Quan; Wang, Hui; Zhang, Lijun; Miao, Maosheng; Wang, Yanchao; Ma, Yanming
Related Software: BRENT; ATLAS
Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

CDFTPY

Cited in 1 Document (2022)
Software Authors: Valiev, Marat; Chuev, Gennady N.; Fedotova, Marina V.
Related Software: NWChem; Python
Main Fields: Fluid mechanics (76-XX); Statistical mechanics, structure of matter (82-XX)

CONUNDrum

Cited in 1 Document (2020)
Software Authors: Golub, Pavlo; Manzhos, Sergei
Related Software:
Main Fields: Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

hfbtho

Cited in 1 Document (2017)
Software Authors: Perez, R. Navarro; Schunck, N.; Lasseri, R.-D.; Zhang, C.; Sarich, J.
Related Software: hfodd; LAPACK
Main Fields: Quantum theory (81-XX)

HP

Cited in 1 Document (2022)
Software Authors: Timrov, Iurii; Marzari, Nicola; Cococcioni, Matteo
Related Software: FFTW; SSSP; testcode.py; …
Main Fields: Combinatorics (05-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX); …

JuNoLo

Cited in 1 Document (2010)
Software Authors: Predrag Lazić
Related Software:
Main Fields: Statistical mechanics, structure of matter (82-XX)

Jx

Cited in 1 Document (2020)
Software Authors: Yoon, Hongkee; Kim, Taek Jung; Sim, Jae-Hoon; Han, Myung Joon
Related Software: Wannier90; Julia; OpenMx
Main Fields: Mechanics of particles and systems (70-XX); Statistical mechanics, structure of matter (82-XX)

KGEC

Cited in 1 Document (2017)
Software Authors: Calderín, L.; Karasiev, V. V.; Trickey, S. B.
Related Software: Quantum Espresso
Main Fields: Statistical mechanics, structure of matter (82-XX)

matador

Cited in 0 Documents
Software Authors: Matthew L. Evans; Andrew J. Morris
Related Software: python-ternary; Spglib; OptaDOS; …
Main Fields:

MPInterfaces

Cited in 0 Documents
Software Authors: Kiran Mathew, Arunima K. Singh, Joshua J. Gabriel, Kamal Choudhary, Susan B. Sinnott, Albert V. Davydov, Francesca Tavazza, Richard G. Hennig
Related Software: VASP; VASPsol; pymatgen; …
Main Fields:

PWDFT.jl

Cited in 1 Document (2020)
Software Authors: Fathurrahman, Fadjar; Agusta, Mohammad Kemal; Saputro, Adhitya Gandaryus; Dipojono, Hermawan Kresno
Related Software: Julia; ABINIT
Main Fields: Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

PyCDFT

Cited in 0 Documents
Software Authors: He Ma, Wennie Wang, Siyoung Kim, Man-Hin Cheng, Marco Govoni, Giulia Galli
Related Software: CP2K; Quantum Espresso; pyFFTW; …
Main Fields:

PySCF-NAO

Cited in 1 Document (2019)
Software Authors: Koval, Peter; Barbry, Marc; Sánchez-Portal, Daniel
Related Software: SciPy; SIESTA; Python; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

symWannier

Cited in 1 Document (2023)
Software Authors: Koretsune, Takashi
Related Software: WannSymm; Quantum Espresso; Wannier90
Main Fields: Statistical mechanics, structure of matter (82-XX)

TOMBO

Cited in 1 Document (2015)
Software Authors: Ono, Shota; Noguchi, Yoshifumi; Sahara, Ryoji; Kawazoe, Yoshiyuki; Ohno, Kaoru
Related Software:
Main Fields: Partial differential equations (35-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

turboMagnon

Cited in 1 Document (2022)
Software Authors: Gorni, Tommaso; Baseggio, Oscar; Delugas, Pietro; Baroni, Stefano; Timrov, Iurii
Related Software: LAPACK; FFTW; CMake; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

woptic

Cited in 1 Document (2016)
Software Authors: Assmann, E.; Wissgott, P.; Kuneš, J.; Toschi, A.; Blaha, P.; Held, K.
Related Software: Wien2wannier; WIEN2k; Wannier90
Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

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