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Found 91 Software Packages (Results 1–91)

Quantum Espresso

Software Authors:   Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D, et al.
Referenced in: 42 Publications (2010–2022)
Related Software: ABINIT; lobpcg.m; LAPACK; Wannier90; WIEN2k; CheFSI; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

ABINIT

Software Authors:   Xavier Gonze; et al.
Referenced in: 47 Publications (2004–2022)
Related Software: Quantum Espresso; CASTEP; CheFSI; NWChem; lobpcg.m; WIEN2k; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)

WIEN2k

Software Authors:   P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz
Referenced in: 36 Publications (2002–2022)
Related Software: Quantum Espresso; ABINIT; LAPACK; lobpcg.m; FLEUR; ScaLAPACK; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)

GAMESS

Software Authors:   Fletcher, Graham D.; Schmidt, Michael W.; Bode, Brett M.; Gordon, Mark S.
Referenced in: 36 Publications (1998–2022)
Related Software: GAUSSIAN; NWChem; Quantum Espresso; Open Babel; Gromacs; MacMolPlt; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-XX)

OCTOPUS

Software Authors:   Alberto Castro, Heiko Appel, Micael Oliveira, Carlo A. Rozzi, Florian Lorenzen, Xavier Andrade, Miguel A. L. Marques, E. K. U. Gross, Angel Rubio
Referenced in: 21 Publications (2004–2022)
Related Software: ABINIT; SIESTA; Libxc; KSSOLV; CASTEP; APE; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)

PARSEC

Software Authors:   J.R. Chelikowsky
Referenced in: 20 Publications (2008–2020)
Related Software: ARPACK; lobpcg.m; CheFSI; ABINIT; FEAST; LAPACK; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)

CASTEP

Software Authors:   M.D.Segall, P.J.D.Lindan, M.J.Probert, C.J.Pickard, P.J.Hasnip, S.J.Clark, M.C.Payne
Referenced in: 16 Publications (2005–2022)
Related Software: ABINIT; Quantum Espresso; CheFSI; SIESTA; OCTOPUS; PETSc; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-XX)

VASP

Software Authors:   Jürgen Hafner; Georg Kresse; Doris Vogtenhuber; Martijn Marsman
Referenced in: 8 Publications (2004–2018)
Related Software: Quantum Espresso; Spglib; Python; GAUSSIAN; WIEN2k; Open Babel; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-XX)

CheFSI

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

ONETEP

Software Authors:   Dr Peter Haynes; Dr Nicholas Hine; Dr Arash Mostofi; Prof Mike Payne; Dr Chris-Kriton Skylaris
Referenced in: 15 Publications (2007–2019)
Related Software: SIESTA; ABINIT; CONQUEST; DGDFT; lobpcg.m; Quantum Espresso; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

Wannier90

Software Authors:   Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari
Referenced in: 11 Publications (2008–2019)
Related Software: Quantum Espresso; XCrySDen; VMD; WIEN2k; LAPACK; VESTA 3; …
Main Fields: Group theory and generalizations (20-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)

Libxc

Software Authors:   Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus
Referenced in: 12 Publications (2012–2022)
Related Software: ABINIT; Gmsh; OCTOPUS; lobpcg.m; WIEN2k; Quantum Espresso; …
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX)

fhi98PP

Software Authors:   Fuchs, Martin; Scheffler, Matthias
Referenced in: 10 Publications (1999–2021)
Related Software: CheFSI; RESCU; ABINIT; ClusterES; BigDFT; Libxc; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)

GCCA

Software Authors:   Anil K. Seth
Referenced in: 9 Publications (2011–2021)
Related Software: MVGC; Brain Connectivity Toolbox; BSMART; EEGLAB; MuTE; QUIC; …
Main Fields: Statistics (62-XX); Statistical mechanics, structure of matter (82-XX); Game theory, economics, finance, and other social and behavioral sciences (91-XX)

ClusterES

Software Authors:   Banerjee, Amartya S.; Elliott, Ryan S.; James, Richard D.
Referenced in: 10 Publications (2015–2022)
Related Software: CheFSI; ABINIT; Quantum Espresso; CASTEP; PARSEC; Matlab; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)

WIEN97

Software Authors:   Blaha, P.; Schwarz, K.; Luitz, J.
Referenced in: 9 Publications (2001–2006)
Related Software: SPiDER; CUMULVS; DAQV; wien-speedup; PARAVER; VAMPIR; …
Main Fields: Computer science (68-XX); Optics, electromagnetic theory (78-XX); Quantum theory (81-XX)

BerkeleyGW

Software Authors:   Deslippe J, Samsonidze G, Strubbe D A, et al.
Referenced in: 8 Publications (2015–2022)
Related Software: ABINIT; Quantum Espresso; lobpcg.m; KSSOLV; Yambo; mftoolbox; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)

Psi4

Software Authors:   J. M. Turney et al.
Referenced in: 2 Publications (2014–2015)
Related Software: PySCF; Python; SciPy; qHiPSTER; ProjectQ; OpenFermion; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

transiesta

Software Authors:   Brandbyge, Mads; Mozos, J.L.; Ordejon, P.; Taylor, Jeremy Philip; Stokbro, Kurt
Referenced in: 7 Publications (2008–2021)
Related Software: Kwant; NanoTCAD ViDES; SMEAGOL; nextnano; DDPy; NEMO5; …
Main Fields: Combinatorics (05-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)

DGDFT

Software Authors:   Wei Hu, Lin Lin, Chao Yang
Referenced in: 7 Publications (2016–2021)
Related Software: Quantum Espresso; ABINIT; ONETEP; lobpcg.m; CheFSI; NWChem; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

QMCPACK

Software Authors:   J. Kim, et al.
Referenced in: 7 Publications (2008–2020)
Related Software: S3D Legion; KKRnano; NWChem; DataSpork; CRYSTAL; CRYSTAL09; …
Main Fields: General and overarching topics; collections (00-XX); Ordinary differential equations (34-XX); Numerical analysis (65-XX)

BigDFT

Software Authors:   Genovese, Luigi; Videau, Brice; Ospici, Matthieu; Deutsch, Thierry; Goedecker, Stefan; Méhaut, Jean-François
Referenced in: 5 Publications (2011–2021)
Related Software: ABINIT; PETSc; Libxc; OCTOPUS; APE; SLEPc; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Quantum theory (81-XX)

PROFESS

Software Authors:   Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.
Referenced in: 6 Publications (2010–2018)
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)

SMEAGOL

Software Authors:   A. R. Rocha, V. M. García-Suárez, S. Bailey, C. Lambert, J. Ferrer, S. Sanvito
Referenced in: 3 Publications (2008–2009)
Related Software: Python; Kwant; NumPy; SciPy; LAPACK; NEMO5; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Optics, electromagnetic theory (78-XX)

SPARC

Software Authors:   Ghosh, Swarnava; Suryanarayana, Phanish
Referenced in: 6 Publications (2017–2022)
Related Software: PETSc; CheFSI; ABINIT; LAPACK; MPI; CRYSTAL; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)

CONQUEST

Software Authors:   Bowler, D.; Choudhury, R.; Gillan, M.; Miyazaki, T
Referenced in: 4 Publications (2007–2013)
Related Software: SIESTA; ONETEP; CASTEP; OCTOPUS; ABINIT; DCore; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Quantum theory (81-XX)

APE

Software Authors:   Oliveira M.J., Nogueira F.
Referenced in: 3 Publications (2012–2013)
Related Software: Libxc; OCTOPUS; BigDFT; ABINIT; KSSOLV; BLOPEX; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

CRYSTAL09

Software Authors:   Zhuravlyov, Yu.N.; Lisitsyn, V.M.
Referenced in: 4 Publications (2001–2012)
Related Software: CRYSTAL; QMCPACK; GAUSSIAN; GAMESS; QWalk
Main Fields: Classical thermodynamics, heat transfer (80-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

DFT-FE

Software Authors:   Motamarri, P.; Das, P.; Rudraraju, S.; Ghosh, K.; Davydov, D.; Gavini, V.
Referenced in: 4 Publications (2020–2021)
Related Software: CheFSI; Libxc; ABINIT; LAPACK; CASTEP; Quantum Espresso; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-XX)

exciting

Software Authors:   C. Ambrosch-Draxl, Z. Basirat, T. Dengg, R. Golesorkhtabar, C. Meisenbichler, D. Nabok, W. Olovsson, P. Asquale Pavone, S. Sagmeister, J. Spitaler
Referenced in: 3 Publications (2012–2017)
Related Software: WIEN2k; Elk; LAPACK; ABINIT; FLEUR; ScaLAPACK; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

COKOSNUT

Software Authors:   Sprengel, M.; Ciaramella, G.; Borzì, A.
Referenced in: 3 Publications (2017–2021)
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

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

DeePMD-kit

Software Authors:   Han Wang, Linfeng Zhang, Jiequn Han, Weinan E
Referenced in: 1 Publication (2021)
Related Software: TensorFlow; Adam; Slurm; dpdata; AiiDA; GAUSSIAN; …
Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Statistical mechanics, structure of matter (82-XX)

Dftatom

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

Elk

Software Authors:   J.K. Dewhurst, S. Sharma, L. Nordström, F. Cricchio, F. Bultmark, E.K.U. Gross
Referenced in: 2 Publications (2012–2013)
Related Software: WIEN2k; exciting; FLEUR; ScaLAPACK; LAPACK; Libxc; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)

ELSI

Software Authors:   V. Yu et al.
Referenced in: 3 Publications (2019)
Related Software: ELPA; FEAST; ScaLAPACK; DGDFT; Pselinv; lobpcg.m; …
Main Fields: Statistics (62-XX); Numerical analysis (65-XX)

Ergo

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

Pwpaw

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

RESCU

Software Authors:   Michaud-Rioux, Vincent; Zhang, Lei; Guo, Hong
Referenced in: 3 Publications (2016–2021)
Related Software: CheFSI; ClusterES; fhi98PP; ABINIT; GAUSSIAN; BigDFT; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

Cormorant

Software Authors:   Brandon Anderson, Truong-Son Hy, Risi Kondor
Referenced in: 2 Publications (2020–2022)
Related Software: mad-GP; MULTIMODE; PhysNet; SchNet; JAX; DScribe; …
Main Fields: Probability theory and stochastic processes (60-XX); Game theory, economics, finance, and other social and behavioral sciences (91-XX); Biology and other natural sciences (92-XX)

DFTB+

Software Authors:   B. Aradi; B. Hourahine; Th. Frauenheim
Referenced in: 2 Publications (2018)
Related Software: Quickstep; SelInv
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)

DFTK

Software Authors:   M. F. Herbst, A. Levitt, E. Cancès
Referenced in: 1 Publication (2022)
Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

DMOL3

Software Authors:   Acclerys, Inc.
Referenced in: 2 Publications (2010–2022)
Related Software: Ripser; Persistence Landscape; VMD; TDA; javaPlex; Perseus; …
Main Fields: Calculus of variations and optimal control; optimization (49-XX); Statistics (62-XX); Quantum theory (81-XX)

GOLLUM

Software Authors:   J. Ferrer, C. J. Lambert, V. M. Garcia-Suarez, D. Zs. Manrique, D. Visontai, L. Oroszlany, R. Rodriguez-Ferradas, I. Grace, S. W. D. Bailey, K. Gillemot, H. Sadeghi, L. A. Algharagholy
Referenced in: 1 Publication (2017)
Related Software: ASE; SMEAGOL; pybinding; GPAW; TensorFlow; LAPACK; …
Main Fields: Classical thermodynamics, heat transfer (80-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

OptaDOS

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

ORCA

Software Authors:   Neese, F.
Referenced in: 0 Publications
Related Software: Quantum Espresso; Python; EasySpin; GIPAW; PyCCE; Qbox; …
Main Fields:

PHON

Software Authors:   Dario Alfè
Referenced in: 1 Publication (2011)
Related Software: PHONON; LAMMPS; ABINIT; VASP; Quantum Espresso; phq
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX)

Plato

Software Authors:   Kenny, S.D.; Horsfield, A.P.
Referenced in: 2 Publications (2009–2011)
Related Software: fhi98PP; ABINIT
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

TRIQS

Software Authors:   Olivier Parcollet, Michel Ferrero, Thomas Ayral, Hartmut Hafermann, Igor Krivenko, Laura Messio, Priyanka Seth
Referenced in: 2 Publications (2015–2017)
Related Software: ct-hyb; iQIST; CT-HYB; ALPSCore; Boost; ALPS; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

TurboEELS

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

turboTDDFT

Software Authors:   Malcıoğlu, Osman Barış; Gebauer, Ralph; Rocca, Dario; Baroni, Stefano
Referenced in: 2 Publications (2011–2015)
Related Software: Quantum Espresso; FFTW; LAPACK; TurboEELS; turboTDDFT 2.0
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

turboTDDFT 2.0

Software Authors:   Ge, Xiaochuan; Binnie, Simon J.; Rocca, Dario; Gebauer, Ralph; Baroni, Stefano
Referenced in: 2 Publications (2014–2015)
Related Software: Quantum Espresso; TurboEELS; turboTDDFT; FFTW; LAPACK
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

WulffPack

Software Authors:   J. Magnus Rahm; Paul Erhart
Referenced in: 0 Publications
Related Software: ASE; pymatgen; MacroDensity; BAPT; AiiDA; FireWorks; …
Main Fields:

ab-initio

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

ASR

Software Authors:   Morten Gjerding, Thorbjørn Skovhus, Asbjørn Rasmussen, Fabian Bertoldo, Ask Hjorth Larsen, Jens Jørgen Mortensen, Kristian Sommer Thygesen
Referenced in: 0 Publications
Related Software: ASE; GPAW; MyQueue; Phonopy; Spglib; pymatgen; …
Main Fields:

ATLAS

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

BDF

Software Authors:   Liu, Wenjian; Wang, Fan; Li, Lemin
Referenced in: 1 Publication (2004)
Related Software:
Main Fields: Quantum theory (81-XX)

BoltzTraP2

Software Authors:   Madsen, G. K. H., Carrete, J., Verstraete, M. J.
Referenced in: 0 Publications
Related Software: CASTEP; QuantumATK; scikit-image; MayaVi; pymatgen; XCrySDen; …
Main Fields:

C2DB

Software Authors:   Sten Haastrup, Mikkel Strange, Mohnish Pandey, Thorsten Deilmann, Per S. Schmidt, Nicki F. Hinsche, Morten N. Gjerding, Daniele Torelli, Peter M. Larsen, Anders C. Riis-Jensen, Jakob Gath, Karsten W. Jacobsen, Jens Jørgen Mortensen, Thomas Olsen, Kristian S. Thygesen
Referenced in: 0 Publications
Related Software: ASE; GPAW; MyQueue; Phonopy; Spglib; pymatgen; …
Main Fields:

DCore

Software Authors:   Shinaoka H., Otsuki J., Kawamura M., Takemori N., Yoshimi K.
Referenced in: 0 Publications
Related Software: CONQUEST; DSQSS; GAMESS; hphi; LAMMPS; mVMC; …
Main Fields:

DeePKS-kit

Software Authors:   Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E
Referenced in: 0 Publications
Related Software: GELUs; DP-GEN; Adam; PySCF; PyTorch
Main Fields:

dfauto

Software Authors:   Strange, R.; Manby, F. R.; Knowles, P. J.
Referenced in: 1 Publication (2001)
Related Software: LaTeX; MOLPRO; Maple
Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

edgecount

Software Authors:   Singh, Abhishek K.; Penev, Evgeni S.; Yakobson, Boris I.
Referenced in: 1 Publication (2011)
Related Software: VMD; LattE; Mathematica
Main Fields: Statistical mechanics, structure of matter (82-XX)

ERKALE

Software Authors:   Lehtola J., Hakala M., Sakko A., Hämäläinen K.
Referenced in: 0 Publications
Related Software: Libxc; WIEN2k; Quantum Espresso; Psi4; OCTOPUS; GPAW; …
Main Fields:

FHI-gap

Software Authors:   Jiang, Hong; Gómez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias
Referenced in: 1 Publication (2013)
Related Software: WIEN2k
Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

GPAW

Software Authors:   Häkkinen
Referenced in: 1 Publication (2016)
Related Software: PRMLT
Main Fields: Statistics (62-XX); Quantum theory (81-XX)

hfbtho

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

hiPhive

Software Authors:   Fredrik Eriksson, Erik Fransson, Paul Erhart
Referenced in: 0 Publications
Related Software: Scikit; AAPL; almaBTE; ShengBTE; phono3py; dynasor; …
Main Fields:

HONPAS

Software Authors:   Xinming Qin, Honghui Shang, Lei Xu, Wei Hu, Jinlong Yang, Shigang Li, Yunquan Zhang
Referenced in: 0 Publications
Related Software: Quickstep; NWChem; ABINIT; GAUSSIAN; GPAW
Main Fields:

JARVIS

Software Authors:   Choudhary, K., et al.
Referenced in: 0 Publications
Related Software: Prefect; MPContrib; Atomate; ASE; EMMET; NOMAD; …
Main Fields:

JuNoLo

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

libvdwxc

Software Authors:   Larsen A.H., Kuisma M., Lfgren J., Pouillon Y., Erhart P., Hyldgaard P.
Referenced in: 0 Publications
Related Software: Libxc; WIEN2k; Quantum Espresso; Psi4; OCTOPUS; GPAW; …
Main Fields:

matador

Software Authors:   Matthew L. Evans; Andrew J. Morris
Referenced in: 0 Publications
Related Software: sumo; ilustrado; CASTEP; python-ternary; Spglib; OptaDOS; …
Main Fields:

MAZE

Software Authors:   Dexter D. Antonio, Jiawei Guo, Sam J. Holton, Ambarish R. Kulkarni
Referenced in: 0 Publications
Related Software: GPAW; LAMMPS; ASE; NumPy; Python; Scikit
Main Fields:

MPInterfaces

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

PEXSI

Software Authors:   berkeley.edu
Referenced in: 1 Publication (2020)
Related Software: EVSL; PARSEC; SelInv; CIRR; MIKA; IRAM; …
Main Fields: Numerical analysis (65-XX)

PWscf

Software Authors:   None
Referenced in: 1 Publication (2017)
Related Software: MOPAC; libssh; RandSpg; Open Babel; VASP; ADF; …
Main Fields: Computer science (68-XX); Statistical mechanics, structure of matter (82-XX)

PyCDFT

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

QuantumATK

Software Authors:   Smidstrup, S.; Markussen, T.; Vancraeyveld, P.; Wellendorff, J.; Schneider, J.; Gunst, T.; Verstichel, B.; Stradi, D.; Khomyakov, P. A.; Vej-Hansen, U. G.; Lee, M. E.; Chill, S. T.; Rasmussen, F.; Penazzi, G.; Corsetti, F.; Ojanperä, A.; Jensen, K.; Palsgaard, M. L.N.; Martinez, U.; Blom, A.; Brandbyge, M.; Stokbro, K.,
Referenced in: 0 Publications
Related Software: CASTEP; scikit-image; MayaVi; pymatgen; BoltzTraP2; XCrySDen; …
Main Fields:

SALMON

Software Authors:   Noda M., Sato S.A., Hirokawa Y., Uemoto M., Takeuchi T., Yamada S., et al.
Referenced in: 0 Publications
Related Software: CONQUEST; DCore; DSQSS; GAMESS; hphi; LAMMPS; …
Main Fields:

surfaxe

Software Authors:   Katarina Brlec; Daniel W. Davies; David O. Scanlon
Referenced in: 0 Publications
Related Software: MacroDensity; BAPT; ASE; pymatgen; AiiDA; FireWorks; …
Main Fields:

TOMBO

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

Tonto

Software Authors:   Dylan Jayatilaka; et al.
Referenced in: 1 Publication (2012)
Related Software: CONVIV
Main Fields: Biology and other natural sciences (92-XX)

VeloxChem

Software Authors:   Zilvinas Rinkevicius, Xin Li, Olav Vahtras, Karan Ahmadzadeh, Manuel Brand, Magnus Ringholm, Nanna Holmgaard List, Maximilian Scheurer, Mikael Scott, Andreas Dreuw, Patrick Norman.
Referenced in: 0 Publications
Related Software: adcc; molsturm; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; …
Main Fields:

w2dynamics

Software Authors:   Wallerberger, M., Hausoel, A., Gunacker, P., Kowalski, A., Parragh, N., Goth, F., Held, K., Sangiovanni, G
Referenced in: 0 Publications
Related Software: Victory; Cython; PyQt; h5py; Matplotlib; SciPy; …
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woptic

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

HelFEM

Software Authors:   Susi Lehtola
Referenced in: 0 Publications
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JDFTx

Software Authors:   R. Sundararaman, K. Letchworth-Weaver, T. A. Arias
Referenced in: 0 Publications
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MEAMfit

Software Authors:   Andrew Ian Duff, M. W. Finnis, Philippe Maugis, Barend. J. Thijsse, Marcel H. F. Sluiter
Referenced in: 0 Publications
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noloco

Software Authors:   Dmitrii Nabok, Peter Puschnig, Claudia Ambrosch-Draxl
Referenced in: 0 Publications
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Perturbo

Software Authors:   Jin-Jian Zhou, Jinsoo Park, I-Te Lu, Ivan Maliyov, Xiao Tong, Marco Bernardi
Referenced in: 0 Publications
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