Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app

Xing Wang, Edan Bainglass, Miki Bonacci, Andres Ortega-Guerrero, Lorenzo Bastonero, Marnik Bercx, Pietro Bonfà, Roberto De Renzi, Dou Du, Peter N. O. Gillespie, Michael A. Hernández-Bertrán, Daniel Hollas, Sebastiaan P. Huber, Elisa Molinari, Ifeanyi J. Onuorah, Nataliya Paulish, Deborah Prezzi, Junfeng Qiao, Timo Reents, Christopher J. Sewell, Iurii Timrov, Aliaksandr V. Yakutovich, Jusong Yu, Nicola Marzari, Carlo A. Pignedoli, Giovanni Pizzi

Open source

DOI: 10.1038/s41524-025-01936-4
Published: 2026-02-03
Container: npj Computational Materials
Publisher: Springer Science and Business Media LLC
Open access: unknown

Credibility signals

uncertain Score 64/100 under policy 1.0.0. This is a metadata assessment, not a judgment of the paper's conclusions.

Show all credibility signals

supportingDOI registered: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
supportingDOI resolves: A matching record was returned by Crossref. Source: Crossref; license: CC0 metadata
not scoredDirectory of Open Access Journals: No matching DOAJ record was present in this response. No allow-list match; this is not evidence of low credibility. Source: DOAJ; license: CC0
not scoredMEDLINE indexed: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredOpenAlex core source: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredKnown publisher allow-list: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredROR affiliation: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredRetraction Watch retraction: No retraction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch expression of concern: No expression of concern notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch correction: No correction notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredRetraction Watch reinstatement: No reinstatement notice matched this DOI in the deployed snapshot. No matching event found; coverage may be incomplete. Source: Retraction Watch; license: CC BY 4.0
not scoredOpen access status: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication license: Not checked or no result supplied; no credibility inference made. Source: No authority result supplied; license: Unknown
not scoredPublication version: A publication version was supplied but is not scored. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer
supportingMetadata completeness: All 6 scored descriptive metadata groups are present. Source: Normalized work metadata; license: Caller-provided; provenance license not supplied to scorer

Cite this work

BibTeX

@article{allodium:10.1038/s41524-025-01936-4,
  title = {Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app},
  author = {Xing Wang and Edan Bainglass and Miki Bonacci and Andres Ortega-Guerrero and Lorenzo Bastonero and Marnik Bercx and Pietro Bonfà and Roberto De Renzi and Dou Du and Peter N. O. Gillespie and Michael A. Hernández-Bertrán and Daniel Hollas and Sebastiaan P. Huber and Elisa Molinari and Ifeanyi J. Onuorah and Nataliya Paulish and Deborah Prezzi and Junfeng Qiao and Timo Reents and Christopher J. Sewell and Iurii Timrov and Aliaksandr V. Yakutovich and Jusong Yu and Nicola Marzari and Carlo A. Pignedoli and Giovanni Pizzi},
  year = {2026},
  journal = {npj Computational Materials},
  doi = {10.1038/s41524-025-01936-4},
  url = {https://doi.org/10.1038/s41524-025-01936-4}
}

RIS

TY  - JOUR
TI  - Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app
AU  - Xing Wang
AU  - Edan Bainglass
AU  - Miki Bonacci
AU  - Andres Ortega-Guerrero
AU  - Lorenzo Bastonero
AU  - Marnik Bercx
AU  - Pietro Bonfà
AU  - Roberto De Renzi
AU  - Dou Du
AU  - Peter N. O. Gillespie
AU  - Michael A. Hernández-Bertrán
AU  - Daniel Hollas
AU  - Sebastiaan P. Huber
AU  - Elisa Molinari
AU  - Ifeanyi J. Onuorah
AU  - Nataliya Paulish
AU  - Deborah Prezzi
AU  - Junfeng Qiao
AU  - Timo Reents
AU  - Christopher J. Sewell
AU  - Iurii Timrov
AU  - Aliaksandr V. Yakutovich
AU  - Jusong Yu
AU  - Nicola Marzari
AU  - Carlo A. Pignedoli
AU  - Giovanni Pizzi
PY  - 2026
JO  - npj Computational Materials
DO  - 10.1038/s41524-025-01936-4
UR  - https://doi.org/10.1038/s41524-025-01936-4
ER  -

APA

Wang, X., Bainglass, E., Bonacci, M., Ortega-Guerrero, A., Bastonero, L., Bercx, M., Bonfà, P., Renzi, R. D., Du, D., Gillespie, P. N. O., Hernández-Bertrán, M. A., Hollas, D., Huber, S. P., Molinari, E., Onuorah, I. J., Paulish, N., Prezzi, D., Qiao, J., Reents, T., Sewell, C. J., Timrov, I., Yakutovich, A. V., Yu, J., Marzari, N., Pignedoli, C. A., & Pizzi, G. (2026). Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO app. npj Computational Materials. https://doi.org/10.1038/s41524-025-01936-4

Source records

crossref · retrieved 2026-09-26T12:28:04.463Z