Journal of Physics Condensed Matter, volume 29, issue 46, pages 465901
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi
,
T. Brumme
,
O. Bunau
,
M. Buongiorno-Nardelli
,
Matteo Calandra
,
R. Car
,
C. Cavazzoni
,
Davide Ceresoli
,
M. Cococcioni
,
N. Colonna
,
I Carnimeo
,
A. Dal Corso
,
Stefano de Gironcoli
,
Pietro Delugas
,
Robert A. DiStasio
,
Alessandro Ferretti
,
Andrea Floris
,
Guido Fratesi
,
G. Fugallo
,
Ralph Gebauer
,
U. Gerstmann
,
Feliciano Giustino
,
T Gorni
,
J. Jia
,
Mitsuaki Kawamura
,
Hsin-Yu Ko
,
Anton Kokalj
,
Emine Küçükbenli
,
M. LAZZERI
,
M. Marsili
,
F. Mauri
,
N. L. Nguyen
,
Hung D. Nguyen
,
A. Otero-de-la-Roza
,
Lorenzo Paulatto
,
Samuel Poncé
,
Dario Rocca
,
R. Sabatini
,
Biswajit Santra
,
Martin Schlipf
,
Ari Seitsonen
,
A. Smogunov
,
Iurii Timrov
,
P. Umari
,
N. VAST
,
Xifan Wu
,
Stefano Baroni
Publication type: Journal Article
Publication date: 2017-10-24
Journal:
Journal of Physics Condensed Matter
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 2.7
ISSN: 09538984, 1361648X
Condensed Matter Physics
General Materials Science
Abstract
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.
Top-30
Citations by journals
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ACS Nano
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Nature Communications
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npj Computational Materials
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Nano Letters
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Physica B: Condensed Matter
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Nanomaterials
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Journal of Physics and Chemistry of Solids
37 publications, 0.76%
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Journal of Alloys and Compounds
36 publications, 0.74%
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AIP Advances
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Citations by publishers
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1200
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American Physical Society (APS)
1068 publications, 22.04%
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Elsevier
900 publications, 18.57%
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American Chemical Society (ACS)
883 publications, 18.22%
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Springer Nature
365 publications, 7.53%
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IOP Publishing
345 publications, 7.12%
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Wiley
314 publications, 6.48%
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American Institute of Physics (AIP)
302 publications, 6.23%
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Multidisciplinary Digital Publishing Institute (MDPI)
202 publications, 4.17%
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IEEE
64 publications, 1.32%
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Taylor & Francis
39 publications, 0.8%
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Physical Society of Japan
34 publications, 0.7%
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Royal Society of Chemistry (RSC)
27 publications, 0.56%
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American Association for the Advancement of Science (AAAS)
25 publications, 0.52%
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Pleiades Publishing
25 publications, 0.52%
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International Union of Crystallography (IUCr)
22 publications, 0.45%
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Japan Society of Applied Physics
16 publications, 0.33%
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Proceedings of the National Academy of Sciences (PNAS)
16 publications, 0.33%
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The Electrochemical Society
14 publications, 0.29%
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Frontiers Media S.A.
14 publications, 0.29%
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World Scientific
13 publications, 0.27%
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American Vacuum Society
9 publications, 0.19%
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Walter de Gruyter
9 publications, 0.19%
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Cambridge University Press
8 publications, 0.17%
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Science in China Press
8 publications, 0.17%
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Stichting SciPost
8 publications, 0.17%
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Optical Society of America
7 publications, 0.14%
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Trans Tech Publications
6 publications, 0.12%
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Hindawi Limited
5 publications, 0.1%
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Beilstein-Institut
5 publications, 0.1%
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- We do not take into account publications without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Giannozzi P. et al. Advanced capabilities for materials modelling with Quantum ESPRESSO // Journal of Physics Condensed Matter. 2017. Vol. 29. No. 46. p. 465901.
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Giannozzi P., Andreussi O., Brumme T., Bunau O., Buongiorno-Nardelli M., Calandra M., Car R., Cavazzoni C., Ceresoli D., Cococcioni M., Colonna N., Carnimeo I., Dal Corso A., de Gironcoli S., Delugas P., DiStasio R. A., Ferretti A., Floris A., Fratesi G., Fugallo G., Gebauer R., Gerstmann U., Giustino F., Gorni T., Jia J., Kawamura M., Ko H., Kokalj A., Küçükbenli E., LAZZERI M., Marsili M., Marzari N., Mauri F., Nguyen N. L., Nguyen H. D., Otero-de-la-Roza A., Paulatto L., Poncé S., Rocca D., Sabatini R., Santra B., Schlipf M., Seitsonen A., Smogunov A., Timrov I., Thonhauser T., Umari P., VAST N., Wu X., Baroni S. Advanced capabilities for materials modelling with Quantum ESPRESSO // Journal of Physics Condensed Matter. 2017. Vol. 29. No. 46. p. 465901.
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TY - JOUR
DO - 10.1088/1361-648X/aa8f79
UR - https://doi.org/10.1088/1361-648X/aa8f79
TI - Advanced capabilities for materials modelling with Quantum ESPRESSO
T2 - Journal of Physics Condensed Matter
AU - Giannozzi, P.
AU - Andreussi, Oliviero
AU - Brumme, T.
AU - Bunau, O.
AU - Buongiorno-Nardelli, M.
AU - Calandra, Matteo
AU - Car, R.
AU - Cavazzoni, C.
AU - Ceresoli, Davide
AU - Cococcioni, M.
AU - Colonna, N.
AU - Carnimeo, I
AU - Dal Corso, A.
AU - de Gironcoli, Stefano
AU - Delugas, Pietro
AU - DiStasio, Robert A.
AU - Ferretti, Alessandro
AU - Floris, Andrea
AU - Fratesi, Guido
AU - Fugallo, G.
AU - Gebauer, Ralph
AU - Gerstmann, U.
AU - Giustino, Feliciano
AU - Gorni, T
AU - Jia, J.
AU - Kawamura, Mitsuaki
AU - Ko, Hsin-Yu
AU - Kokalj, Anton
AU - Küçükbenli, Emine
AU - LAZZERI, M.
AU - Marsili, M.
AU - Marzari, Nicola
AU - Mauri, F.
AU - Nguyen, N. L.
AU - Nguyen, Hung D.
AU - Otero-de-la-Roza, A.
AU - Paulatto, Lorenzo
AU - Poncé, Samuel
AU - Rocca, Dario
AU - Sabatini, R.
AU - Santra, Biswajit
AU - Schlipf, Martin
AU - Seitsonen, Ari
AU - Smogunov, A.
AU - Timrov, Iurii
AU - Thonhauser, T.
AU - Umari, P.
AU - VAST, N.
AU - Wu, Xifan
AU - Baroni, Stefano
PY - 2017
DA - 2017/10/24 00:00:00
PB - IOP Publishing
SP - 465901
IS - 46
VL - 29
SN - 0953-8984
SN - 1361-648X
ER -
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@article{2017_Giannozzi,
author = {P. Giannozzi and Oliviero Andreussi and T. Brumme and O. Bunau and M. Buongiorno-Nardelli and Matteo Calandra and R. Car and C. Cavazzoni and Davide Ceresoli and M. Cococcioni and N. Colonna and I Carnimeo and A. Dal Corso and Stefano de Gironcoli and Pietro Delugas and Robert A. DiStasio and Alessandro Ferretti and Andrea Floris and Guido Fratesi and G. Fugallo and Ralph Gebauer and U. Gerstmann and Feliciano Giustino and T Gorni and J. Jia and Mitsuaki Kawamura and Hsin-Yu Ko and Anton Kokalj and Emine Küçükbenli and M. LAZZERI and M. Marsili and Nicola Marzari and F. Mauri and N. L. Nguyen and Hung D. Nguyen and A. Otero-de-la-Roza and Lorenzo Paulatto and Samuel Poncé and Dario Rocca and R. Sabatini and Biswajit Santra and Martin Schlipf and Ari Seitsonen and A. Smogunov and Iurii Timrov and T. Thonhauser and P. Umari and N. VAST and Xifan Wu and Stefano Baroni},
title = {Advanced capabilities for materials modelling with Quantum ESPRESSO},
journal = {Journal of Physics Condensed Matter},
year = {2017},
volume = {29},
publisher = {IOP Publishing},
month = {oct},
url = {https://doi.org/10.1088/1361-648X/aa8f79},
number = {46},
pages = {465901},
doi = {10.1088/1361-648X/aa8f79}
}
Cite this
MLA
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Giannozzi, P., et al. “Advanced capabilities for materials modelling with Quantum ESPRESSO.” Journal of Physics Condensed Matter, vol. 29, no. 46, Oct. 2017, p. 465901. https://doi.org/10.1088/1361-648X/aa8f79.