Evidence map›Paper›PMID 40535204›Full record

Articlenpj computational materials2025

First-principles Hubbard parameters with automated and reproducible workflows.

Lorenzo Bastonero, Cristiano Malica, Eric Macke, Marnik Bercx, Sebastiaan Huber, Iurii Timrov, Nicola Marzari

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in npj computational materials, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

9 citing papers in PubMed.

  1. Article
  2. Article
  3. Getting the Manifold Right: The Crucial Role of Orbital Resolution in DFT+Journal of chemical theory and computation · 2026
    Article
  4. Article
  5. Article
  6. Article
  7. Article
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

7 authors.

Lorenzo BastoneroU Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, D-28359 Bremen, Germany.
Cristiano MalicaU Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, D-28359 Bremen, Germany.
Eric MackeU Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, D-28359 Bremen, Germany.
Marnik BercxPSI Center for Scientific Computing, Theory, and Data, and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 5232 Villigen PSI, Switzerland.
Sebastiaan HuberTheory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland.
Iurii TimrovPSI Center for Scientific Computing, Theory, and Data, and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), 5232 Villigen PSI, Switzerland.
Nicola MarzariU Bremen Excellence Chair, Bremen Center for Computational Materials Science, and MAPEX Center for Materials and Processes, University of Bremen, D-28359 Bremen, Germany.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard

Indexed as

BatteriesCondensed-matter physicsElectronic properties and materials

Identifiers

PMID40535204
PMCPMC12170337

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.