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Found 122 Software Packages (Results 1–100)

GAUSSIAN

Software Authors:   Gaussian, Inc.; http://gaussian.com/people/
Referenced in: 186 Publications (1983–2022)
Related Software: NWChem; GAMESS; MOLPRO; ABINIT; Matlab; Quantum Espresso; …
Main Fields: Probability theory and stochastic processes (60-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

Anderson

Software Authors:   Homer F. Walker; Peng Ni
Referenced in: 108 Publications (2011–2022)
Related Software: NKA; UMFPACK; PETSc; GitHub; SCS; Poblano; …
Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX)

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; WIEN2k; Wannier90; 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)

KSSOLV

Software Authors:   Chao Yang; Juan C. Meza; Byounghak Lee; Lin-Wang Wang
Referenced in: 37 Publications (2009–2022)
Related Software: lobpcg.m; BLOPEX; OCTOPUS; SparseMatrix; JDQZ; Matlab; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

SelInv

Software Authors:   Lin, L., Yang, C., Meza, J.C., Lu, J., Ying, L., Weinan, E.
Referenced in: 31 Publications (2011–2022)
Related Software: SparseMatrix; Pselinv; MUMPS; CSparse; GMRFLib; ELPA; …
Main Fields: Partial differential equations (35-XX); Statistics (62-XX); Numerical analysis (65-XX)

ELPA

Software Authors:   T. Auckenthaler, V. Blum, H.-J. Bungartz, T. Huckle, R. Johanni, L. Krämer, B. Lang, H. Lederer, P. R. Willems
Referenced in: 25 Publications (2013–2022)
Related Software: ScaLAPACK; LAPACK; FEAST; GitHub; lobpcg.m; SBR Toolbox; …
Main Fields: Combinatorics (05-XX); Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX)

SIESTA

Software Authors:   Soler J.S., Artacho E., Gale J.D., Garcia A., Junquera J., Ordejon P., Sanchez-Portal D
Referenced in: 22 Publications (2006–2022)
Related Software: ONETEP; CASTEP; ABINIT; OCTOPUS; CONQUEST; ScaLAPACK; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-XX)

MOLPRO

Software Authors:   H.-J. Werner, P. J. Knowles; AJ Stone, R Tarroni, T Thorsteinsson
Referenced in: 19 Publications (2001–2022)
Related Software: GAUSSIAN; SciPy; Maple; SelInv; ABINIT; CRYSCOR; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-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)

ASE

Software Authors:   Hjorth Larsen, A.; Jørgen Mortensen, J.; Blomqvist, J.; Castelli, I. E.; Christensen, R.; Dułak, M.; Friis, J.; Groves, M. N.; Hammer, B.; Hargus, C.; Hermes, E. D.; Jennings, P. C.; Bjerre Jensen, P.; Kermode, J.; Kitchin, J. R.; Leonhard Kolsbjerg, E.; 14 Kubal, J.; Kaasbjerg, K.; Lysgaard, S.; Bergmann Maronsson, J.; Maxson, T.; Olsen, T.; Pastewka, L.; Peterson, A.; Rostgaard, C.; Schiøtz, J.; Schütt, O.; Strange, M.; Thygesen, K.; Vegge, T.; Vilhelmsen, L.; Walter, M.; Zeng, Z.; Jacobsen, K. W
Referenced in: 3 Publications (2019–2022)
Related Software: Python; pymatgen; NumPy; SciPy; Spglib; Atomate; …
Main Fields: Probability theory and stochastic processes (60-XX); Mechanics of deformable solids (74-XX); Fluid mechanics (76-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)

pymatgen

Software Authors:   Ong, S. P.; Richards, W. D.; Jain, A.; Hautier, G.; Kocher, M.; Cholia, S.; Gunter, D.; Chevrier, V. L.; Persson, K. A.; Ceder, G.
Referenced in: 3 Publications (2017–2022)
Related Software: Python; ASE; Matplotlib; SciPy; Spglib; NumPy; …
Main Fields: Group theory and generalizations (20-XX); Convex and discrete geometry (52-XX); Manifolds and cell complexes (57-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)

PySCF

Software Authors:   Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt, George H. Booth, Sheng Guo, Zhendong Li, Junzi Liu, James McClain, Sandeep Sharma, Sebastian Wouters, Garnet Kin-Lic Chan
Referenced in: 4 Publications (2019–2022)
Related Software: SciPy; Python; Psi4; OpenFermion; qHiPSTER; ProjectQ; …
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-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)

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)

HMDB

Software Authors:   Wishart DS, Jewison T, Guo AC, Wilson M, Knox C, et al.
Referenced in: 2 Publications (2020–2021)
Related Software: Cytoscape; plotly; Highcharter; shiny; OOMPA; hgu133plus2.db; …
Main Fields: Statistics (62-XX); Numerical analysis (65-XX); Computer science (68-XX)

AFLOW

Software Authors:   Curtarolo, S., Setyawan, W., Hart, G. L. W., Jahnatek, M., Chepulskii, R. V., Taylor, R. H., Wang, S., et al.
Referenced in: 4 Publications (2018–2022)
Related Software: AiiDA; FireWorks; Python; Atomate; ASE; pymatgen; …
Main Fields: Partial differential equations (35-XX); Statistics (62-XX); Numerical analysis (65-XX)

CTF

Software Authors:   Edgar Solomonik, Devin Matthews, Jeff Hammond, James Demmel
Referenced in: 8 Publications (2014–2021)
Related Software: BLAS; BLIS; MKL; cuDNN; Algorithm 679; ScaLAPACK; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Computer science (68-XX)

Electronic Geometry Textbook

Software Authors:   Chen, Xiaoyu
Referenced in: 7 Publications (2010–2020)
Related Software: Intergeo; GCLC; GeoGebra; TGTP; GeoThms; GCLCprover; …
Main Fields: Geometry (51-XX); Computer science (68-XX); Mathematics education (97-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)

Qbox

Software Authors:   F.Gygi
Referenced in: 5 Publications (2010–2019)
Related Software: Quantum Espresso; NWChem; Python; lobpcg.m; ELPA; ABINIT; …
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)

GPAW

Software Authors:   J. Enkovaara, N. A. Romero, S. Shende, J. J. Mortensen
Referenced in: 1 Publication (2016)
Related Software: Python; ASE; NumPy; ABINIT; LAMMPS; Scikit; …
Main Fields: Fluid mechanics (76-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)

TURBOMOLE

Software Authors:   Reinhart Ahlrichs
Referenced in: 5 Publications (2003–2017)
Related Software: NWChem; SMILES; XD2015; AIMAll; DAMQT; ADF; …
Main Fields: Statistics (62-XX); Computer science (68-XX); Quantum theory (81-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)

COEFANG1

Software Authors:   Lima, P.M.
Referenced in: 6 Publications (1991–2007)
Related Software: NJGRAF; NEWGRAPH; NJFORMULA; RACAH; NJSUMPAR; NJSUMMATION; …
Main Fields: Nonassociative rings and algebras (17-XX); Numerical analysis (65-XX); Computer science (68-XX)

EPCBC

Software Authors:   Yap, Huihui; Khoo, Khoongming; Poschmann, Axel; Henricksen, Matt
Referenced in: 6 Publications (2011–2017)
Related Software: SageMath; SPECK; SIMON; PRINCE; PRESENT; spongent; …
Main Fields: Operations research, mathematical programming (90-XX); Information and communication theory, circuits (94-XX)

MIKA

Software Authors:   Torsti, T.; Heiskanen, M.; Puska, M.; Nieminen, R.
Referenced in: 5 Publications (2006–2020)
Related Software: PROPACK; SIESTA; PEXSI; EVSL; PARSEC; SelInv; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-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)

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)

STOP

Software Authors:   Bouferguene A., Fares M., Hoggan P.E
Referenced in: 6 Publications (2003–2018)
Related Software: GAUSSIAN; ADF; Sturmian; Mathematica; Ev3; LINDOGlobal; …
Main Fields: Special functions (33-XX); Approximations and expansions (41-XX); Numerical analysis (65-XX)

AtomPAW

Software Authors:   N. A. W. Holzwarth, A. R. Tackett, G. E. Matthews
Referenced in: 5 Publications (2001–2020)
Related Software: Pwpaw; ABINIT; Quantum Espresso; S/PHI/nX; PAW; lobpcg.m; …
Main Fields: Special functions (33-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)

CRYSCOR

Software Authors:   Pisani, C., Schütz, Martin, Casassa, S., Usvyat, Denis, Maschio, L., Lorenz, Marco, Erba, A
Referenced in: 5 Publications (2014–2018)
Related Software: MOLPRO; Matlab; molsturm; SIMPL; reszeta.lib; PDEtools; …
Main Fields: General and overarching topics; collections (00-XX); Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX)

E-DRAGON

Software Authors:   Tetko, I. V.; Gasteiger, J.; Todeschini, R.; et al.
Referenced in: 4 Publications (2007–2014)
Related Software: Cell-PLoc; WEKA; iRSpot-PseDNC; iCDI-PseFpt; iNR-PhysChem; iHSP-PseRAAAC; …
Main Fields: Combinatorics (05-XX); Partial differential equations (35-XX); Computer science (68-XX)

GAMESS-UK

Software Authors:   Computing for Science Ltd.; M.F. Guest, I. J. Bush, H.J.J. van Dam, P. Sherwood, J.M.H. Thomas, J.H. van Lenthe, R.W.A Havenith, J. Kendrick
Referenced in: 4 Publications (2006–2016)
Related Software: GAMESS; NWChem; Wolf2Pack; GROW; DesParO; CMA-ES; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

GREMLIN

Software Authors:   Höfinger, Siegfried
Referenced in: 5 Publications (2001–2008)
Related Software: PAPI; Gprof; ScaLAPACK
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-XX)

k-ep

Software Authors:   Dongjin Lee, Takeo Hoshi, Tomohiro Sogabe, Yuto Miyatake, Shao-Liang Zhang
Referenced in: 5 Publications (2018–2021)
Related Software: ELSES; ELPA; ScaLAPACK; EigenExa; EigenKernel; GitHub; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)

nextnano

Software Authors:   Birner, Stefan; Zibold, T.; Andlauer, T.; Kubis, T.
Referenced in: 4 Publications (2012–2019)
Related Software: NanoTCAD ViDES; transiesta; Kwant; LAPACK; lobpcg.m; ARPACK; …
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

Pselinv

Software Authors:   Jacquelin, Mathias; Lin, Lin; Yang, Chao
Referenced in: 5 Publications (2017–2021)
Related Software: SelInv; ScaLAPACK; ELPA; SuperLU-DIST; LAPACK; Krylstat; …
Main Fields: Statistics (62-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

wien-speedup

Software Authors:   Petersen, M.; Wagner, F.; Hufnagel, L.; Scheffler, M.; Blaha, P.; Schwarz, K.
Referenced in: 5 Publications (2000–2017)
Related Software: WIEN2k; WIEN97; FLEUR; Elemental; Maple
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

CheMPS2

Software Authors:   Wouters, Sebastian; Poelmans, Ward; Ayers, Paul W.; van Neck, Dimitri
Referenced in: 4 Publications (2014–2021)
Related Software: ITensor; ALPS MPS; ALPS; MCTDH; ALEA; LOBPCG; …
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX); Sequences, series, summability (40-XX)

FRegSigComp

Software Authors:   Qi, Xin; Luo, Ruiyan
Referenced in: 4 Publications (2018–2022)
Related Software: fda (R); FRegSigCom; quantreg; pffr; gamair; Chronux; …
Main Fields: Statistics (62-XX)

HARMONIA

Software Authors:   Vázquez-Salceda, Javier
Referenced in: 3 Publications (2004–2009)
Related Software: Pastry
Main Fields: Computer science (68-XX)

MOLDEN

Software Authors:   G.Schaftenaar, J.H. Noordik
Referenced in: 2 Publications (2006–2016)
Related Software: GAMESS; GAUSSIAN; ASE; WebMO; CCLIB; NumPy; …
Main Fields: Statistical mechanics, structure of matter (82-XX); Biology and other natural sciences (92-XX)

CCLIB

Software Authors:   Noel M. O'Boyle, Adam L. Tenderholt, Karol M. Langner.
Referenced in: 1 Publication (2014)
Related Software: ASE; WebMO; MOLDEN; NumPy; Atomate; SciPy; …
Main Fields: Numerical analysis (65-XX)

Cucheb

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

ELSI

Software Authors:   V. Yu et al.
Referenced in: 3 Publications (2019)
Related Software: ELPA; FEAST; ScaLAPACK; MOLPRO; DGDFT; Pselinv; …
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)

GeoText

Software Authors:   Xiaoyu Chen
Referenced in: 2 Publications (2013–2014)
Related Software: GEOTHER 1.1; TGTP; Intergeo; GeoGebra; arXMLiv; Electronic Geometry Textbook; …
Main Fields: Computer science (68-XX)

Gmat

Software Authors:   Castro, M.E.; Ni~no, A.; Mu~noz-Caro, C.
Referenced in: 3 Publications (2004–2010)
Related Software: GAUSSIAN; Eiffel; GAMESS
Main Fields: Statistics (62-XX); Quantum theory (81-XX); Biology and other natural sciences (92-XX)

LSMS

Software Authors:   Pittsburgh Supercomputing Center
Referenced in: 3 Publications (1998–2016)
Related Software: Julia; RSPt
Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Mechanics of deformable solids (74-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; S/PHI/nX; PAW; lobpcg.m; …
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)

SOMLib

Software Authors:   Rauber, Andreas; Merkl, Dieter
Referenced in: 2 Publications (2003–2007)
Related Software: SOM_PAK; EMD; VisualSEEk
Main Fields: Computer science (68-XX)

Stat-JR

Software Authors:   Charlton CMJ, Michaelides DT, Parker, A RM, Cameron B, Szmaragd C, Yang H, Zhang Z, Frazer AJ, Goldstein H, Jones K, Leckie G, Moreau L, Browne WJ
Referenced in: 1 Publication (2018)
Related Software: WinBUGS; MLwiN; PROC NLMIXED; MIXREGLS; SAS; SPSS; …
Main Fields: Statistics (62-XX)

VESTA 3

Software Authors:   K. Momma; F. Izumi
Referenced in: 2 Publications (2018–2019)
Related Software: Quantum Espresso; Wannier90; CONQUEST; DCore; DSQSS; GAMESS; …
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)

CIF2Cell

Software Authors:   Björkman, Torbjörn
Referenced in: 1 Publication (2011)
Related Software: CONQUEST; DCore; DSQSS; GAMESS; hphi; LAMMPS; …
Main Fields: Statistical mechanics, structure of matter (82-XX)

Dalton

Software Authors:   Aidas, K.; Angeli, C.; Bak, K. L.; Bakken, V.; Bast, R.; Boman, L.; Christiansen, O.; et al.
Referenced in: 1 Publication (2020)
Related Software: SPHINX; EinSum; CuPy; Jmol; Psi4NumPy; NumPy; …
Main Fields: Statistical mechanics, structure of matter (82-XX)

FHI-aims

Software Authors:   FHI; Blum, V.; Gehrke, R.; Hanke, F.; Havu, P.; Havu, V.; Ren, X.; Reuter, K.; Scheffler, M.
Referenced in: 1 Publication (2009)
Related Software: WIEN2k; libvdwxc; Libxc; Quantum Espresso; Psi4; OCTOPUS; …
Main Fields: Quantum theory (81-XX)

GTPack

Software Authors:   Geilhufe, M.; Hergert, W.
Referenced in: 1 Publication (2018)
Related Software: Vis5D; FINDSYM; Avogadro; XCrySDen; Wannier90; Mathematica
Main Fields: General and overarching topics; collections (00-XX); Group theory and generalizations (20-XX); Computer science (68-XX)

i-pi

Software Authors:   Michele Ceriotti, Joshua More, David E. Manolopoulos
Referenced in: 1 Publication (2018)
Related Software: Adam; Gromacs; Torch; Caffe; TensorFlow; DeePMD-kit; …
Main Fields: Computer science (68-XX); Quantum theory (81-XX); Biology and other natural sciences (92-XX)

JChemPaint

Software Authors:   Krause S, Willighagen E, Steinbeck C
Referenced in: 0 Publications
Related Software: CDK; R; rJava; SJava; OEChem; JOELib; …
Main Fields:

molsturm

Software Authors:   M. F. Herbst, A. Dreuw, J. E. Avery
Referenced in: 1 Publication (2018)
Related Software: adcc; VeloxChem; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; …
Main Fields: General and overarching topics; collections (00-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

NanoNET

Software Authors:   M. V. Klymenko, J. A. Vaitkus, J. S. Smith, J. H. Cole
Referenced in: 0 Publications
Related Software: Kwant; PythTB; Z2pack; ISOTROPY; SpaceGroupIrep; WannierTools; …
Main Fields:

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:

OSIPE

Software Authors:   Colonna, François; Jolly, Luc-Henri; Poirier, Raymond A.; Ángyán, János G.; Jansen, Georg
Referenced in: 1 Publication (1994)
Related Software: GAUSSIAN; Eiffel
Main Fields: Computer science (68-XX)

PhonTS

Software Authors:   A. Chernatynskiy, S. R. Phillpot
Referenced in: 1 Publication (2015)
Related Software: HDF5; ShengBTE; almaBTE; LAPACK
Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)

PhysNet

Software Authors:   Oliver T. Unke, Markus Meuwly
Referenced in: 1 Publication (2022)
Related Software: LAMMPS; TensorMol; PyTorch; REANN; DiffSharp; mad-GP; …
Main Fields: Probability theory and stochastic processes (60-XX); Biology and other natural sciences (92-XX)

PythTB

Software Authors:   S. Coh, D. Vanderbilt
Referenced in: 0 Publications
Related Software: Z2pack; WannierTools; Quantum Espresso; Wannier90; ISOTROPY; SpaceGroupIrep; …
Main Fields:

SHIML

Software Authors:   Zacate, Matthew O.; Evenson, William E.
Referenced in: 2 Publications (2011–2016)
Related Software: LAPACK; BLAS; GSL
Main Fields: Statistical mechanics, structure of matter (82-XX)

Tequila

Software Authors:   Jakob S. Kottmann, Sumner Alperin-Lea, Teresa Tamayo-Mendoza, Alba Cervera-Lierta, Cyrille Lavigne, Tzu-Ching Yen, Vladyslav Verteletskyi, Philipp Schleich, Abhinav Anand, Matthias Degroote, Skylar Chaney, Maha Kesibi, Naomi Grace Curnow, Brandon Solo, Georgios Tsilimigkounakis, Claudia Zendejas-Morales, Artur F. Izmaylov, Alán Aspuru-Guzik
Referenced in: 0 Publications
Related Software: SciPy; OpenFermion; QISKit; Python; pybind11; qHiPSTER; …
Main Fields:

TROVE

Software Authors:   Sergei N.Yurchenko; Walter Thiel; Per Jensen
Referenced in: 2 Publications (2017–2018)
Related Software: MCTDH; ARPACK; input.F90; GAIN-MPI; CUBLAS; CUDA
Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Numerical analysis (65-XX); Quantum theory (81-XX)

AIDA-CMK

Software Authors:   Lourenço, Ricardo; Lourenço, Nuno; Horta, Nuno
Referenced in: 1 Publication (2015)
Related Software: AIDA-C
Main Fields: Operations research, mathematical programming (90-XX); Information and communication theory, circuits (94-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:

BETHE

Software Authors:   Rykhlinskaya, K.; Fritzsche, S.
Referenced in: 1 Publication (2005)
Related Software: Maple
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:

cindo.x

Software Authors:   Sahu, Sridhar; Shukla, Alok
Referenced in: 1 Publication (2009)
Related Software: GAUSSIAN
Main Fields: Quantum theory (81-XX)

Deepr

Software Authors:   Phuoc Nguyen, Truyen Tran, Nilmini Wickramasinghe, Svetha Venkatesh
Referenced in: 1 Publication (2021)
Related Software: ROMOP
Main Fields: Statistics (62-XX); Biology and other natural sciences (92-XX)

DFTBaby

Software Authors:   Alexander Humeniuk, Roland Mitric
Referenced in: 0 Publications
Related Software:
Main Fields:

DL-FIND

Software Authors:   Johannes Kästner, main author
Referenced in: 1 Publication (2017)
Related Software: ChemShell
Main Fields: Numerical analysis (65-XX); Mechanics of particles and systems (70-XX); Quantum theory (81-XX)

Fanpy

Software Authors:   Taewon David Kim, Michael Richer, Gabriela Sánchez-Díaz, Farnaz Heidar-Zadeh, Toon Verstraelen, Ramón Alain Miranda-Quintana, Paul W. Ayers
Referenced in: 0 Publications
Related Software: Psi4; PySCF; SciPy; MOLPRO; scikit-optimize; pycma; …
Main Fields:

FEMVib

Software Authors:   D. Xu
Referenced in: 1 Publication (2009)
Related Software: MCTDH; TableCurve 3D; JDQZ; JDQR; SLEPc
Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)

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)

HFSZEEMAN

Software Authors:   Martin Andersson, Per Jönsson
Referenced in: 1 Publication (2008)
Related Software: grasp2k
Main Fields: Quantum theory (81-XX)

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:

JuNoLo

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

MacroDensity

Software Authors:   Keith T. Butler, Christopher H. Hendon, Aron Walsh
Referenced in: 0 Publications
Related Software: BAPT; ASE; pymatgen; AiiDA; FireWorks; surfaxe; …
Main Fields:

MESMER

Software Authors:   Glowacki DR, Liang C-H, Morley C, Pilling MJ, Robertson SH.
Referenced in: 1 Publication (2021)
Related Software:
Main Fields: Partial differential equations (35-XX); Probability theory and stochastic processes (60-XX); Quantum theory (81-XX)

NQCDynamics.jl

Software Authors:   James Gardner, Oscar A. Douglas-Gallardo, Wojciech G. Stark, Julia Westermayr, Svenja M. Janke, Scott Habershon, Reinhard J. Maurer
Referenced in: 0 Publications
Related Software: VENUS96; Unitful.jl; MLJ; Flux; SchNetPack; SchNet; …
Main Fields:

p4vasp

Software Authors:   Orest Dubay
Referenced in: 0 Publications
Related Software: Spglib; pymatgen; ASE; Matplotlib; XCrySDen; Quantum Espresso; …
Main Fields:

PEXSI

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