×

Found 48 Software Packages (Results 1–48)

ABINIT

Cited in 80 Documents (2004–2024)
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; NWChem; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

Wannier90

Cited in 32 Documents (2008–2024)
Software Authors: Mostofi, Arash A.; Yates, Jonathan R.; Lee, Young-Su; Souza, Ivo; Vanderbilt, David; Marzari, Nicola
Related Software: Quantum Espresso; ABINIT; WIEN2k; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

CheFSI

Cited in 21 Documents (2014–2024)
Software Authors: Zhou, Yunkai; Chelikowsky, James R.; Saad, Yousef
Related Software: ABINIT; lobpcg.m; ARPACK; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Optics, electromagnetic theory (78-XX); …

ONETEP

Cited in 17 Documents (2007–2023)
Software Authors: Haynes, Dr Peter; Hine, Dr Nicholas; Mostofi, Dr Arash; Payne, Prof Mike; Skylaris, Dr Chris-Kriton
Related Software: SIESTA; ABINIT; CASTEP; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

ClusterES

Cited in 12 Documents (2015–2024)
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 7 Documents (2011–2023)
Software Authors: Genovese, Luigi; Videau, Brice; Ospici, Matthieu; Deutsch, Thierry; Goedecker, Stefan; Méhaut, Jean-François
Related Software: ABINIT; OCTOPUS; PETSc; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

PROFESS

Cited in 8 Documents (2010–2023)
Software Authors: Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.
Related Software: COMSOL; Quantum Espresso; KINSOL; …
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX); …

COKOSNUT

Cited in 7 Documents (2017–2024)
Software Authors: Sprengel, M.; Ciaramella, G.; Borzì, A.
Related Software: TRAVOLTA; NIC-CAGE; OCTOPUS; …
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Quantum theory (81-XX); …

libOMM

Cited in 7 Documents (2017–2024)
Software Authors: Corsetti, Fabiano
Related Software: lobpcg.m; FEAST; ELSI; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

Cucheb

Cited in 4 Documents (2017–2022)
Software Authors: Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef
Related Software: SparseMatrix; EVSL; CUBLAS; …
Main Fields: Combinatorics (05-XX); Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); …

Dftatom

Cited in 4 Documents (2013–2024)
Software Authors: Čertík, Ondřej; Pask, John E.; Vackář, Jiří
Related Software: Libxc; featom; DBSR_HF; …
Main Fields: Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX); Quantum theory (81-XX); …

Ergo

Cited in 3 Documents (2021)
Software Authors: Rudberg, Elias; Rubensson, Emanuel H.; Sałek, Paweł; Kruchinina, Anastasia
Related Software: Gabedit; NTPoly; SpAMM
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

RESCU

Cited in 4 Documents (2016–2022)
Software Authors: Michaud-Rioux, Vincent; Zhang, Lei; Guo, Hong
Related Software: ABINIT; Quantum Espresso; DGDFT; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); …

DoNOF

Cited in 3 Documents (2021–2023)
Software Authors: Piris, Mario; Mitxelena, Ion
Related Software:
Main Fields: Functional analysis (46-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

Plato

Cited in 3 Documents (2009–2019)
Software Authors: Kenny, S.D.; Horsfield, A.P.
Related Software: ABINIT; Yambo; GitHub; …
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); …

Questaal

Cited in 3 Documents (2019–2020)
Software Authors: Schilfgaarde, Mark van; et al.
Related Software: FLEUR; WIEN2k; FlapwMBPT; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX); Information and communication theory, circuits (94-XX)

DeePKS-kit

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

featom

Cited in 2 Documents (2013–2024)
Software Authors: Čertík, Ondřej; Pask, John E.; Fernando, Isuru; Goswami, Rohit; Sukumar, N.; Collins, Lee. A.; Manzini, Gianmarco; Vackář, Jiří
Related Software: Dftatom; DBSR_HF; Libxc
Main Fields: Calculus of variations and optimal control; optimization (49-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

hfbtho

Cited in 2 Documents (2017–2022)
Software Authors: Perez, R. Navarro; Schunck, N.; Lasseri, R.-D.; Zhang, C.; Sarich, J.
Related Software: hfodd; LAPACK
Main Fields: Partial differential equations (35-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

OptaDOS

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

TTDFT

Cited in 2 Documents (2022–2023)
Software Authors: Lin, Chih-Chuen; Gavini, Vikram
Related Software: DFT-FE; Quantum Espresso; NWChem; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-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); …

woptic

Cited in 2 Documents (2016–2021)
Software Authors: Assmann, E.; Wissgott, P.; Kuneš, J.; Toschi, A.; Blaha, P.; Held, K.
Related Software: Wannier90; BoltzWann; EPW; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-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: Statistical mechanics, structure of matter (82-XX)

eQE

Cited in 1 Document (2021)
Software Authors: Mi, Wenhui; Shao, Xuecheng; Genova, Alessandro; Ceresoli, Davide; Pavanello, Michele
Related Software: Quantum Espresso
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

HP

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

JuNoLo

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

LISE

Cited in 1 Document (2021)
Software Authors: Jin, Shi; Roche, Kenneth J.; Stetcu, Ionel; Abdurrahman, Ibrahim; Bulgac, Aurel
Related Software: cuFFT; VisIt; Silo; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX); …

matador

Cited in 0 Documents
Software Authors: Evans, Matthew L.; Morris, Andrew J.
Related Software: sumo; ilustrado; CASTEP; …
Main Fields:

MPInterfaces

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

phiGEMM

Cited in 1 Document (2022)
Software Authors: Spiga, F.; Girotto, I.
Related Software: p4est; CASTEP; Quantum Espresso; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)

PWDFT.jl

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

PyCDFT

Cited in 0 Documents
Software Authors: Ma, He; Wang, Wennie; Kim, Siyoung; Cheng, Man-Hin; Govoni, Marco; Galli, Giulia
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: Yambo; GitHub; DFTB+; …
Main Fields: Statistical mechanics, structure of matter (82-XX)

QDD

Cited in 1 Document (2022)
Software Authors: Dinh, P. M.; Vincendon, M.; Coppens, F.; Suraud, E.; Reinhard, P.-G.
Related Software:
Main Fields: Functions of a complex variable (30-XX); Statistics (62-XX); Fluid mechanics (76-XX); …

SkyAx

Cited in 1 Document (2021)
Software Authors: Reinhard, P.-G.; Schuetrumpf, B.; Maruhn, J. A.
Related Software:
Main Fields: Partial differential equations (35-XX); Operator theory (47-XX); Numerical analysis (65-XX); …

symWannier

Cited in 1 Document (2023)
Software Authors: Koretsune, Takashi
Related Software: WannSymm; GitHub; Quantum Espresso; …
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; Quantum Espresso; FFTW; …
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

UNDI

Cited in 1 Document (2021)
Software Authors: Bonfà, Pietro; Frassineti, Jonathan; Isah, Muhammad Maikudi; Onuorah, Ifeanyi John; Sanna, Samuele
Related Software:
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

xPK2x

Cited in 1 Document (2023)
Software Authors: Pandit, Abhiyan; Bongiorno, Angelo
Related Software: Elastic3rd; Quantum Espresso; fhi98PP
Main Fields: Mechanics of deformable solids (74-XX)

Filter Results by …

all top 5

Related Software

all top 3

Main Field