Fine-tuning <i>ab initio</i> XANES spectra calculations using the Bayesian optimization algorithm

Andrey A. Sapronov, Dmitry E. Doronkin, Jan-Dierk Grunwaldt

Open source

DOI: 10.1107/s1600577526006430
Published: 2026-07-28
Container: Journal of Synchrotron Radiation
Publisher: International Union of Crystallography (IUCr)
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:10.1107/s1600577526006430,
  title = {Fine-tuning
                    <i>ab initio</i>
                    XANES spectra calculations using the Bayesian optimization algorithm},
  author = {Andrey A. Sapronov and Dmitry E. Doronkin and Jan-Dierk Grunwaldt},
  year = {2026},
  journal = {Journal of Synchrotron Radiation},
  doi = {10.1107/s1600577526006430},
  url = {https://doi.org/10.1107/s1600577526006430}
}

RIS

TY  - JOUR
TI  - Fine-tuning
                    <i>ab initio</i>
                    XANES spectra calculations using the Bayesian optimization algorithm
AU  - Andrey A. Sapronov
AU  - Dmitry E. Doronkin
AU  - Jan-Dierk Grunwaldt
PY  - 2026
JO  - Journal of Synchrotron Radiation
DO  - 10.1107/s1600577526006430
UR  - https://doi.org/10.1107/s1600577526006430
ER  -

APA

Sapronov, A. A., Doronkin, D. E., & Grunwaldt, J. (2026). Fine-tuning <i>ab initio</i> XANES spectra calculations using the Bayesian optimization algorithm. Journal of Synchrotron Radiation. https://doi.org/10.1107/s1600577526006430

Source records

crossref · retrieved 2026-09-25T13:50:53.896Z