---
_id: '13803'
article_number: '465901'
author:
- first_name: P
  full_name: Giannozzi, P
  last_name: Giannozzi
- first_name: O
  full_name: Andreussi, O
  last_name: Andreussi
- first_name: T
  full_name: Brumme, T
  last_name: Brumme
- first_name: O
  full_name: Bunau, O
  last_name: Bunau
- first_name: M
  full_name: Buongiorno Nardelli, M
  last_name: Buongiorno Nardelli
- first_name: M
  full_name: Calandra, M
  last_name: Calandra
- first_name: R
  full_name: Car, R
  last_name: Car
- first_name: C
  full_name: Cavazzoni, C
  last_name: Cavazzoni
- first_name: D
  full_name: Ceresoli, D
  last_name: Ceresoli
- first_name: M
  full_name: Cococcioni, M
  last_name: Cococcioni
- first_name: N
  full_name: Colonna, N
  last_name: Colonna
- first_name: I
  full_name: Carnimeo, I
  last_name: Carnimeo
- first_name: A
  full_name: Dal Corso, A
  last_name: Dal Corso
- first_name: S
  full_name: de Gironcoli, S
  last_name: de Gironcoli
- first_name: P
  full_name: Delugas, P
  last_name: Delugas
- first_name: R A
  full_name: DiStasio, R A
  last_name: DiStasio
- first_name: A
  full_name: Ferretti, A
  last_name: Ferretti
- first_name: A
  full_name: Floris, A
  last_name: Floris
- first_name: G
  full_name: Fratesi, G
  last_name: Fratesi
- first_name: G
  full_name: Fugallo, G
  last_name: Fugallo
- first_name: R
  full_name: Gebauer, R
  last_name: Gebauer
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: F
  full_name: Giustino, F
  last_name: Giustino
- first_name: T
  full_name: Gorni, T
  last_name: Gorni
- first_name: J
  full_name: Jia, J
  last_name: Jia
- first_name: M
  full_name: Kawamura, M
  last_name: Kawamura
- first_name: H-Y
  full_name: Ko, H-Y
  last_name: Ko
- first_name: A
  full_name: Kokalj, A
  last_name: Kokalj
- first_name: E
  full_name: Küçükbenli, E
  last_name: Küçükbenli
- first_name: M
  full_name: Lazzeri, M
  last_name: Lazzeri
- first_name: M
  full_name: Marsili, M
  last_name: Marsili
- first_name: N
  full_name: Marzari, N
  last_name: Marzari
- first_name: F
  full_name: Mauri, F
  last_name: Mauri
- first_name: N L
  full_name: Nguyen, N L
  last_name: Nguyen
- first_name: H-V
  full_name: Nguyen, H-V
  last_name: Nguyen
- first_name: A
  full_name: Otero-de-la-Roza, A
  last_name: Otero-de-la-Roza
- first_name: L
  full_name: Paulatto, L
  last_name: Paulatto
- first_name: S
  full_name: Poncé, S
  last_name: Poncé
- first_name: D
  full_name: Rocca, D
  last_name: Rocca
- first_name: R
  full_name: Sabatini, R
  last_name: Sabatini
- first_name: B
  full_name: Santra, B
  last_name: Santra
- first_name: M
  full_name: Schlipf, M
  last_name: Schlipf
- first_name: A P
  full_name: Seitsonen, A P
  last_name: Seitsonen
- first_name: A
  full_name: Smogunov, A
  last_name: Smogunov
- first_name: I
  full_name: Timrov, I
  last_name: Timrov
- first_name: T
  full_name: Thonhauser, T
  last_name: Thonhauser
- first_name: P
  full_name: Umari, P
  last_name: Umari
- first_name: N
  full_name: Vast, N
  last_name: Vast
- first_name: X
  full_name: Wu, X
  last_name: Wu
- first_name: S
  full_name: Baroni, S
  last_name: Baroni
citation:
  ama: 'Giannozzi P, Andreussi O, Brumme T, et al. Advanced capabilities for materials
    modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed Matter</i>.
    2017;29(46). doi:<a href="https://doi.org/10.1088/1361-648x/aa8f79">10.1088/1361-648x/aa8f79</a>'
  apa: '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., … Baroni, S. (2017). Advanced capabilities
    for materials modelling with Quantum ESPRESSO. <i>Journal of Physics: Condensed
    Matter</i>, <i>29</i>(46), Article 465901. <a href="https://doi.org/10.1088/1361-648x/aa8f79">https://doi.org/10.1088/1361-648x/aa8f79</a>'
  bibtex: '@article{Giannozzi_Andreussi_Brumme_Bunau_Buongiorno Nardelli_Calandra_Car_Cavazzoni_Ceresoli_Cococcioni_et
    al._2017, title={Advanced capabilities for materials modelling with Quantum ESPRESSO},
    volume={29}, DOI={<a href="https://doi.org/10.1088/1361-648x/aa8f79">10.1088/1361-648x/aa8f79</a>},
    number={46465901}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi,
    P and Andreussi, O and Brumme, T and Bunau, O and Buongiorno Nardelli, M and Calandra,
    M and Car, R and Cavazzoni, C and Ceresoli, D and Cococcioni, M and et al.}, year={2017}
    }'
  chicago: 'Giannozzi, P, O Andreussi, T Brumme, O Bunau, M Buongiorno Nardelli, M
    Calandra, R Car, et al. “Advanced Capabilities for Materials Modelling with Quantum
    ESPRESSO.” <i>Journal of Physics: Condensed Matter</i> 29, no. 46 (2017). <a href="https://doi.org/10.1088/1361-648x/aa8f79">https://doi.org/10.1088/1361-648x/aa8f79</a>.'
  ieee: 'P. Giannozzi <i>et al.</i>, “Advanced capabilities for materials modelling
    with Quantum ESPRESSO,” <i>Journal of Physics: Condensed Matter</i>, vol. 29,
    no. 46, Art. no. 465901, 2017, doi: <a href="https://doi.org/10.1088/1361-648x/aa8f79">10.1088/1361-648x/aa8f79</a>.'
  mla: 'Giannozzi, P., et al. “Advanced Capabilities for Materials Modelling with
    Quantum ESPRESSO.” <i>Journal of Physics: Condensed Matter</i>, vol. 29, no. 46,
    465901, 2017, doi:<a href="https://doi.org/10.1088/1361-648x/aa8f79">10.1088/1361-648x/aa8f79</a>.'
  short: 'P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli,
    M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I.
    Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R.A. DiStasio, A. Ferretti,
    A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni,
    J. Jia, M. Kawamura, H.-Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili,
    N. Marzari, F. Mauri, N.L. Nguyen, H.-V. Nguyen, A. Otero-de-la-Roza, L. Paulatto,
    S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A.P. Seitsonen, A. Smogunov,
    I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni, Journal of Physics:
    Condensed Matter 29 (2017).'
date_created: 2019-10-11T10:45:17Z
date_updated: 2025-12-16T07:55:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/1361-648x/aa8f79
funded_apc: '1'
intvolume: '        29'
issue: '46'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: Advanced capabilities for materials modelling with Quantum ESPRESSO
type: journal_article
user_id: '16199'
volume: 29
year: '2017'
...