Quantum Espresso Software Authors: Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C., Ceresoli, D, et al. Cited in: 51 Publications (2010–2023) Related Software: ABINIT; LAPACK; lobpcg.m; Wannier90; WIEN2k; VASP; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Computer science (68-XX)
ABINIT Software Authors: Xavier Gonze; et al. Cited in: 49 Publications (2004–2022) Related Software: Quantum Espresso; CASTEP; CheFSI; OCTOPUS; WIEN2k; NWChem; … 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 Cited in: 38 Publications (2002–2022) Related Software: Quantum Espresso; ABINIT; FLEUR; LAPACK; lobpcg.m; exciting; … 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. Cited in: 37 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 Cited in: 22 Publications (2004–2022) Related Software: ABINIT; SIESTA; Libxc; KSSOLV; CASTEP; Quantum Espresso; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)
VASP Software Authors: Jürgen Hafner; Georg Kresse; Doris Vogtenhuber; Martijn Marsman Cited in: 11 Publications (2004–2023) Related Software: Quantum Espresso; Python; Spglib; pymatgen; GAUSSIAN; WIEN2k; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)
PARSEC Software Authors: J.R. Chelikowsky Cited 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 Cited 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)
Wannier90 Software Authors: Arash A. Mostofi, Jonathan R. Yates, Young-Su Lee, Ivo Souza, David Vanderbilt, Nicola Marzari Cited in: 16 Publications (2008–2023) Related Software: Quantum Espresso; WIEN2k; XCrySDen; ABINIT; PythTB; VMD; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of particles and systems (70-XX)
CheFSI Software Authors: Zhou, Yunkai; Chelikowsky, James R.; Saad, Yousef Cited 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 Cited 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)
Libxc Software Authors: Miguel A. L. Marques, Micael J. T. Oliveira, Tobias Burnus Cited 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)
ClusterES Software Authors: Banerjee, Amartya S.; Elliott, Ryan S.; James, Richard D. Cited in: 11 Publications (2015–2023) Related Software: CheFSI; ABINIT; Quantum Espresso; CASTEP; PARSEC; SPARC; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Mechanics of deformable solids (74-XX)
fhi98PP Software Authors: Fuchs, Martin; Scheffler, Matthias Cited 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 Cited 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)
BerkeleyGW Software Authors: Deslippe J, Samsonidze G, Strubbe D A, et al. Cited in: 10 Publications (2015–2022) Related Software: Quantum Espresso; ABINIT; lobpcg.m; KSSOLV; OpenAtom; CHARM++; … Main Fields: Linear and multilinear algebra; matrix theory (15-XX); Partial differential equations (35-XX); Numerical analysis (65-XX)
WIEN97 Software Authors: Blaha, P.; Schwarz, K.; Luitz, J. Cited in: 9 Publications (2001–2006) Related Software: SPiDER; CUMULVS; DAQV; wien-speedup; Adlib; MPI; … Main Fields: Computer science (68-XX); Optics, electromagnetic theory (78-XX); Quantum theory (81-XX)
SPARC Software Authors: Ghosh, Swarnava; Suryanarayana, Phanish Cited in: 9 Publications (2017–2023) Related Software: PETSc; CheFSI; ClusterES; ABINIT; LAPACK; MPI; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)
DGDFT Software Authors: Wei Hu, Lin Lin, Chao Yang Cited in: 8 Publications (2016–2022) Related Software: ONETEP; Quantum Espresso; ABINIT; NWChem; lobpcg.m; CheFSI; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Quantum theory (81-XX)
Psi4 Software Authors: J. M. Turney et al. Cited 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 Cited 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)
QMCPACK Software Authors: J. Kim, et al. Cited in: 7 Publications (2008–2020) Related Software: NWChem; S3D Legion; KKRnano; DataSpork; GAUSSIAN; CRYSTAL; … 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 Cited 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); Statistical mechanics, structure of matter (82-XX)
PROFESS Software Authors: Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A. Cited 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 Cited 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)
CONQUEST Software Authors: Bowler, D.; Choudhury, R.; Gillan, M.; Miyazaki, T Cited in: 4 Publications (2007–2013) Related Software: SIESTA; ONETEP; CASTEP; OCTOPUS; ABINIT; Spack; … Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Quantum theory (81-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 Cited in: 4 Publications (2012–2020) Related Software: WIEN2k; FLEUR; Elk; LAPACK; ABINIT; ScaLAPACK; … Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
MOLCAS Software Authors: Aquilante, F.; De Vico, L.; Ferré, N.; Ghigo, G.; Malmqvist, P-A; Neogrády, P.; Pedersen, TB; Pitoňák, M.; Reiher, M.; Roos, BO; Serrano-Andrés, L.; Urban, M.; Veryazov, V.; Lindh, R. Cited in: 3 Publications (2009–2023) Related Software: GAUSSIAN; Python; MySQL; PostgreSQL; chemCal; GAMESS Main Fields: Quantum theory (81-XX); Biology and other natural sciences (92-XX)
APE Software Authors: Oliveira M.J., Nogueira F. Cited 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)
COKOSNUT Software Authors: Sprengel, M.; Ciaramella, G.; Borzì, A. Cited in: 4 Publications (2017–2022) 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)
CRYSTAL09 Software Authors: Zhuravlyov, Yu.N.; Lisitsyn, V.M. Cited in: 4 Publications (2001–2012) Related Software: CRYSTAL; GAUSSIAN; QMCPACK; 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. Cited in: 4 Publications (2020–2021) Related Software: CheFSI; Libxc; ABINIT; LAPACK; Quantum Espresso; NWChem; … Main Fields: Numerical analysis (65-XX); Mechanics of deformable solids (74-XX); Optics, electromagnetic theory (78-XX)
Elk Software Authors: J.K. Dewhurst, S. Sharma, L. Nordström, F. Cricchio, F. Bultmark, E.K.U. Gross Cited in: 3 Publications (2012–2019) Related Software: WIEN2k; FLEUR; exciting; Quantum Espresso; ABINIT; ScaLAPACK; … Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
ORCA Software Authors: Neese, F. Cited in: 1 Publication (2021) Related Software: Python; Quantum Espresso; IPSA; Rust; GAMESS; EasySpin; … Main Fields: History and biography (01-XX); Mathematical logic and foundations (03-XX); Combinatorics (05-XX)
Cucheb Software Authors: Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef Cited in: 3 Publications (2017–2019) Related Software: SparseMatrix; CUBLAS; CUSPARSE; CUDA; CHOLMOD; EVSL; … 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 Cited 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 Cited 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)
DFTB+ Software Authors: B. Aradi; B. Hourahine; Th. Frauenheim Cited in: 3 Publications (2018–2019) Related Software: PySCF-NAO; Python; SIESTA; OpenMx; OCTOPUS; GPAW; … 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 Cited in: 2 Publications (2022) Related Software: ForwardDiff; lobpcg.m; VENUS96; Unitful.jl; MLJ; Flux; … Main Fields: Partial differential equations (35-XX); Calculus of variations and optimal control; optimization (49-XX); Numerical analysis (65-XX)
ELSI Software Authors: V. Yu et al. Cited in: 3 Publications (2019) Related Software: ELPA; FEAST; ScaLAPACK; Qbox; Q-Chem; ONETEP; … Main Fields: Statistics (62-XX); Numerical analysis (65-XX)
Ergo Software Authors: Elias Rudberg; Emanuel H. Rubensson; Paweł Sałek; Anastasia Kruchinina Cited 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)
Plato Software Authors: Kenny, S.D.; Horsfield, A.P. Cited in: 3 Publications (2009–2019) Related Software: ABINIT; PySCF-NAO; Python; SIESTA; DFTB+; OpenMx; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
Pwpaw Software Authors: Tackett, A. R.; Holzwarth, N. A. W.; Matthews, G. E. Cited 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 Cited in: 3 Publications (2016–2021) Related Software: CheFSI; ClusterES; fhi98PP; ABINIT; GAUSSIAN; BigDFT; … Main Fields: Partial differential equations (35-XX); Numerical analysis (65-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 Cited in: 3 Publications (2015–2019) Related Software: iQIST; ct-hyb; AMULET; Questaal; ComDMFT; w2dynamics; … Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
turboTDDFT 2.0 Software Authors: Ge, Xiaochuan; Binnie, Simon J.; Rocca, Dario; Gebauer, Ralph; Baroni, Stefano Cited in: 3 Publications (2014–2022) Related Software: FFTW; LAPACK; Quantum Espresso; turboMagnon; CMake; TurboEELS; … Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX); 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 Cited in: 0 Publications Related Software: pymatgen; Atomate; FireWorks; AiiDA; Python; strucscan; … Main Fields: –
Cormorant Software Authors: Brandon Anderson, Truong-Son Hy, Risi Kondor Cited in: 2 Publications (2020–2022) Related Software: GitHub; DiffSharp; mad-GP; MULTIMODE; PhysNet; SchNet; … 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)
DCore Software Authors: Shinaoka H., Otsuki J., Kawamura M., Takemori N., Yoshimi K. Cited in: 1 Publication (2019) Related Software: Quantum Espresso; Wannier90; AMULET; Questaal; ComDMFT; w2dynamics; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
DeePKS-kit Software Authors: Yixiao Chen, Linfeng Zhang, Han Wang, Weinan E Cited in: 1 Publication (2022) Related Software: GELUs; DP-GEN; Adam; PySCF; PyTorch Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)
DMOL3 Software Authors: Acclerys, Inc. Cited 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 Cited 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)
GPAW Software Authors: Häkkinen Cited in: 2 Publications (2016–2019) Related Software: PySCF-NAO; Python; SIESTA; DFTB+; OpenMx; OCTOPUS; … Main Fields: Statistics (62-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. Cited in: 1 Publication (2014) Related Software: CASTEP; python-ternary; Spglib; sumo; ilustrado; MongoDB; … Main Fields: Statistical mechanics, structure of matter (82-XX)
PHON Software Authors: Dario Alfè Cited in: 1 Publication (2011) Related Software: PHONON; LAMMPS; ABINIT; VASP; Quantum Espresso; phq Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX)
Questaal Software Authors: Mark van Schilfgaarde; et al. Cited in: 2 Publications (2019–2020) Related Software: FLEUR; WIEN2k; ecalj; exciting; AMULET; ComDMFT; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX); Information and communication theory, circuits (94-XX)
SALMON Software Authors: Noda M., Sato S.A., Hirokawa Y., Uemoto M., Takeuchi T., Yamada S., et al. Cited in: 1 Publication (2023) Related Software: CP2K; NWChem; Spack; Quantum Mobile; VirtualBox; CONQUEST; … Main Fields: Numerical analysis (65-XX); Computer science (68-XX); Quantum theory (81-XX)
TurboEELS Software Authors: Timrov, Iurii; Vast, Nathalie; Gebauer, Ralph; Baroni, Stefano Cited in: 2 Publications (2015–2018) Related Software: Quantum Espresso; turboTDDFT 2.0; turboTDDFT; FFTW; LAPACK; BSEPACK; … Main Fields: Numerical analysis (65-XX); Quantum theory (81-XX)
turboTDDFT Software Authors: Malcıoğlu, Osman Barış; Gebauer, Ralph; Rocca, Dario; Baroni, Stefano Cited 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)
w2dynamics Software Authors: Wallerberger, M., Hausoel, A., Gunacker, P., Kowalski, A., Parragh, N., Goth, F., Held, K., Sangiovanni, G Cited in: 1 Publication (2019) Related Software: AMULET; Questaal; ComDMFT; DCore; Elk; FLEUR; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
WulffPack Software Authors: J. Magnus Rahm; Paul Erhart Cited in: 0 Publications Related Software: ASE; pymatgen; MacroDensity; BAPT; AiiDA; FireWorks; … Main Fields: –
ab-initio Software Authors: Gulian, Mamikon; Melkonyan, Gurgen; Kasthurirengan, Sakthisundar Cited in: 1 Publication (2018) Related Software: ABINIT Main Fields: Statistical mechanics, structure of matter (82-XX)
AMULET Software Authors: Alexander Poteryaev, Alexander Belozerov, Alexey Dyachenko, Dmitry Korotin, Mikhail Korotin, Alexey Shorikov, Nikolay Skorikov, Sergey Skornyakov, Sergey Streltsov Cited in: 1 Publication (2019) Related Software: Questaal; ComDMFT; w2dynamics; DCore; Elk; FLEUR; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
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 Cited 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 Cited in: 1 Publication (2004) Related Software: – Main Fields: Quantum theory (81-XX)
BoltzTraP2 Software Authors: Madsen, G. K. H., Carrete, J., Verstraete, M. J. Cited 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 Cited in: 0 Publications Related Software: ASE; GPAW; MyQueue; Phonopy; Spglib; pymatgen; … Main Fields: –
CDFTPY Software Authors: Valiev, Marat; Chuev, Gennady N.; Fedotova, Marina V. Cited in: 1 Publication (2022) Related Software: Python Main Fields: Fluid mechanics (76-XX); Statistical mechanics, structure of matter (82-XX)
dfauto Software Authors: Strange, R.; Manby, F. R.; Knowles, P. J. Cited in: 1 Publication (2001) Related Software: MOLPRO; LaTeX; 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. Cited 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. Cited in: 0 Publications Related Software: libvdwxc; Maple; CTaylor; Libxc; WIEN2k; Quantum Espresso; … Main Fields: –
f90wrap Software Authors: James R Kermode Cited in: 0 Publications Related Software: fastSHT; SHTns; CUBLAS; OpenACC; healpy; Healpix; … Main Fields: –
FHI-gap Software Authors: Jiang, Hong; Gómez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias Cited in: 1 Publication (2013) Related Software: WIEN2k Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)
hfbtho Software Authors: Perez, R. Navarro; Schunck, N.; Lasseri, R.-D.; Zhang, C.; Sarich, J. Cited in: 1 Publication (2017) Related Software: hfodd; LAPACK Main Fields: Quantum theory (81-XX)
hiPhive Software Authors: Fredrik Eriksson, Erik Fransson, Paul Erhart Cited 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 Cited in: 0 Publications Related Software: Quickstep; NWChem; ABINIT; GAUSSIAN; GPAW Main Fields: –
HP Software Authors: Timrov, Iurii; Marzari, Nicola; Cococcioni, Matteo Cited in: 1 Publication (2022) Related Software: FFTW; SSSP; testcode.py; Quantum Espresso; VESTA 3; AiiDA; … Main Fields: Quantum theory (81-XX)
JARVIS Software Authors: Choudhary, K., et al. Cited in: 0 Publications Related Software: Python; Simmate; Prefect; MPContrib; Atomate; ASE; … Main Fields: –
JuNoLo Software Authors: Predrag Lazić Cited in: 1 Publication (2010) Related Software: – Main Fields: Statistical mechanics, structure of matter (82-XX)
Jx Software Authors: Yoon, Hongkee; Kim, Taek Jung; Sim, Jae-Hoon; Han, Myung Joon Cited in: 1 Publication (2020) Related Software: Julia; OpenMx; Wannier90 Main Fields: Mechanics of particles and systems (70-XX); Statistical mechanics, structure of matter (82-XX)
KGEC Software Authors: Calderín, L.; Karasiev, V. V.; Trickey, S. B. Cited in: 1 Publication (2017) Related Software: Quantum Espresso 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. Cited in: 0 Publications Related Software: Maple; CTaylor; Libxc; WIEN2k; Quantum Espresso; Psi4; … Main Fields: –
matador Software Authors: Matthew L. Evans; Andrew J. Morris Cited in: 0 Publications Related Software: python-ternary; Spglib; OptaDOS; sumo; ilustrado; CASTEP; … Main Fields: –
MAZE Software Authors: Dexter D. Antonio, Jiawei Guo, Sam J. Holton, Ambarish R. Kulkarni Cited 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 Cited in: 0 Publications Related Software: VASP; VASPsol; pymatgen; Python Main Fields: –
PEXSI Software Authors: berkeley.edu Cited in: 1 Publication (2020) Related Software: SIESTA; EVSL; PARSEC; SelInv; CIRR; MIKA; … Main Fields: Numerical analysis (65-XX)
PWscf Software Authors: None Cited in: 1 Publication (2017) Related Software: GULP; MOPAC; SIESTA; libssh; RandSpg; Open Babel; … 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 Cited in: 0 Publications Related Software: CP2K; Quantum Espresso; pyFFTW; SciPy; ASE; Atomate; … Main Fields: –
PySCF-NAO Software Authors: Koval, Peter; Barbry, Marc; Sánchez-Portal, Daniel Cited in: 1 Publication (2019) Related Software: Python; SIESTA; DFTB+; OpenMx; OCTOPUS; GPAW; … Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-XX)
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., Cited in: 0 Publications Related Software: CASTEP; scikit-image; MayaVi; pymatgen; BoltzTraP2; XCrySDen; … Main Fields: –
surfaxe Software Authors: Katarina Brlec; Daniel W. Davies; David O. Scanlon Cited in: 0 Publications Related Software: MacroDensity; BAPT; ASE; pymatgen; AiiDA; FireWorks; … Main Fields: –
symWannier Software Authors: Koretsune, Takashi Cited in: 1 Publication (2023) Related Software: WannSymm; Quantum Espresso; Wannier90 Main Fields: Mechanics of deformable solids (74-XX); Quantum theory (81-XX)
TOMBO Software Authors: Ono, Shota; Noguchi, Yoshifumi; Sahara, Ryoji; Kawazoe, Yoshiyuki; Ohno, Kaoru Cited 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. Cited in: 1 Publication (2012) Related Software: CONVIV Main Fields: Biology and other natural sciences (92-XX)
turboMagnon Software Authors: Gorni, Tommaso; Baseggio, Oscar; Delugas, Pietro; Baroni, Stefano; Timrov, Iurii Cited in: 1 Publication (2022) Related Software: FFTW; LAPACK; CMake; turboTDDFT 2.0; Quantum Espresso Main Fields: Quantum theory (81-XX); Statistical mechanics, structure of matter (82-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. Cited in: 0 Publications Related Software: adcc; molsturm; OpenFermion; PyFLOSIC; OpenQEMIST; SciPy; … Main Fields: –
WanTiBEXOS Software Authors: Dias, Alexandre C.; Silveira, Julian F. R. V.; Qu, Fanyao Cited in: 1 Publication (2023) Related Software: VASP; Wannier90 Main Fields: Partial differential equations (35-XX); Numerical analysis (65-XX); Optics, electromagnetic theory (78-XX)
woptic Software Authors: Assmann, E.; Wissgott, P.; Kuneš, J.; Toschi, A.; Blaha, P.; Held, K. Cited in: 1 Publication (2016) Related Software: Wien2wannier; WIEN2k; Wannier90 Main Fields: Numerical analysis (65-XX); Statistical mechanics, structure of matter (82-XX)
JDFTx Software Authors: R. Sundararaman, K. Letchworth-Weaver, T. A. Arias Cited in: 0 Publications Related Software: – Main Fields: –