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Quantum ESPRESSO

Quantum ESPRESSO (Quantum Open-Source Package for Research in Electronic Structure, Simulation, and Optimization; QE) is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License. It is based on density functional theory (DFT), plane wave basis…

Products, Quantum ESPRESSO Project & Target problems

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Developer
Quantum ESPRESSO Foundation (QEF)
License
GNU General Public License
Operating system
Linux, macOS
Repository
gitlab.com/QEF/q-e
Stable release
7.5 / 19 August 2025; 12 months ago (19 August 2025)
Written in
Fortran, C

Topics to explore

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Overview

Quantum ESPRESSO Project

Target problems

Parallelization

Advanced semantic analysis

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Map overview Semantic statistics

Quantum ESPRESSO

Nodes30
Edges29
Triples34
Avg. degree1.93
Density0.066667
Components1

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Quantum ESPRESSO

Top relations

related to Quantum ESPRESSO Project · 14
Quantum ESPRESSO → Center, CNR-IOM DEMOCRITOS National Simulation, Fortran-77, Fortran-90, It, Italy, Lausanne, Minnesota, MIT, Polytechnique Fédérale, Princeton University, The, Trieste, University
related to Parallelization · 6
Quantum ESPRESSO → CUDA-based GPU, In, MPI, OpenMP, Parallelization, The
related to External links · 3
Quantum ESPRESSO → Official, QEF, Quantum ESPRESSO Foundation
Developer · 1
Quantum ESPRESSO → Quantum ESPRESSO Foundation (QEF)
License · 1
Quantum ESPRESSO → GNU General Public License
Operating system · 1
Quantum ESPRESSO → Linux, macOS
Repository · 1
Quantum ESPRESSO → gitlab.com/QEF/q-e
Stable release · 1
Quantum ESPRESSO → 7.5 / 19 August 2025; 12 months ago (19 August 2025)
Website · 1
Quantum ESPRESSO → www.quantum-espresso.org
Written in · 1
Quantum ESPRESSO → Fortran, C

Important terminology Word statistics

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Important terminology

quantum espresso software theory dft plane wave pseudopotentials gnu general public license calculations density functional pwscf released project electronic structure

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
Quantum ESPRESSODeveloperQuantum ESPRESSO Foundation (QEF)1.00infobox
Quantum ESPRESSOLicenseGNU General Public License1.00infobox
Quantum ESPRESSOOperating systemLinux, macOS1.00infobox
Quantum ESPRESSORepositorygitlab.com/QEF/q-e1.00infobox
Quantum ESPRESSOStable release7.5 / 19 August 2025; 12 months ago (19 August 2025)1.00infobox
Quantum ESPRESSOWebsitewww.quantum-espresso.org1.00infobox
Quantum ESPRESSOWritten inFortran, C1.00infobox
MITinstance ofin collaboration with different centers worldwide0.80text
Princeton Universityinstance ofin collaboration with different centers worldwide0.80text
the University of Minnesotainstance ofin collaboration with different centers worldwide0.80text
the École Polytechnique Fédérale de Lausanneinstance ofin collaboration with different centers worldwide0.80text
Quantum ESPRESSOrelated to External linksOfficial0.60section

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