Quantum ESPRESSO software suite

URI: https://gptkb.org/entity/Quantum_ESPRESSO_software_suite
GPTKB entity
Statements (44)
Predicate Object
gptkbp:instanceOf gptkb:software
quantum chemistry software
density functional theory software
gptkbp:abbreviation gptkb:QE
gptkbp:application molecular dynamics
materials modeling
electronic-structure calculations
gptkbp:citation P. Giannozzi et al., J. Phys.: Condens. Matter 21, 395502 (2009)
P. Giannozzi et al., J. Chem. Phys. 152, 154105 (2020)
gptkbp:component gptkb:EPW
gptkb:PHonon
gptkb:PWscf
gptkb:TurboTDDFT
gptkb:CP
gptkb:NEB
gptkbp:developer gptkb:Quantum_ESPRESSO_Foundation
gptkbp:documentation https://www.quantum-espresso.org/resources/documentation
gptkbp:firstReleased 2002
gptkbp:format plain text
gptkbp:hasForum https://lists.quantum-espresso.org/mailman/listinfo/users
gptkbp:hasMethod gptkb:density_functional_theory
many-body perturbation theory
pseudopotentials
plane-wave basis sets
https://www.w3.org/2000/01/rdf-schema#label Quantum ESPRESSO software suite
gptkbp:latestReleaseVersion 7.2
2023-10-31
gptkbp:license gptkb:GNU_General_Public_License
gptkbp:operatingSystem gptkb:Windows
gptkb:macOS
gptkb:Linux
gptkbp:parallelization gptkb:CUDA
gptkb:MPI
gptkb:OpenMP
gptkbp:programmingLanguage gptkb:Python
gptkb:Fortran
C
gptkbp:repository https://github.com/QEF/q-e
gptkbp:usedBy chemists
materials scientists
physicists
gptkbp:website https://www.quantum-espresso.org/
gptkbp:bfsParent gptkb:Quantum_ESPRESSO_Foundation
gptkbp:bfsLayer 7