Evidence map›Paper›PMID 38431626›Full record

ArticleNature communications2024

Modelling atomic and nanoscale structure in the silicon-oxygen system through active machine learning.

Linus C Erhard, Jochen Rohrer, Karsten Albe, Volker L Deringer

Open access · goldAbstract read
In one paragraph

Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing papers in PubMed
7.3field-weighted citation impact, top 1% of its field
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

17 citing papers in PubMed, 64 citations in OpenAlex.

  1. Review
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  9. An Atomistic Study of Reactivity in Solid-State Electrolyte Interphase Formation for Li/LiThe journal of physical chemistry. C, Nanomaterials and interfaces · 2025
    Article
  10. Article
  11. Article
  12. Review
  13. Article
  14. Hyperparameter Optimization for Atomic Cluster Expansion Potentials.Journal of chemical theory and computation · 2024
    Article
  15. Article
  16. Spatially Resolved Uncertainties for Machine Learning Potentials.Journal of chemical information and modeling · 2024
    Article
  17. Article
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

4 authors at 2 institutions in 2 countries.

Linus C ErhardInstitute of Materials Science, Technische Universität Darmstadt, Otto-Berndt-Strasse 3, D-64287, Darmstadt, Germany.ORCID http://orcid.org/0000-0003-0219-5801
Jochen RohrerInstitute of Materials Science, Technische Universität Darmstadt, Otto-Berndt-Strasse 3, D-64287, Darmstadt, Germany. rohrer@mm.tu-darmstadt.de.
Karsten AlbeInstitute of Materials Science, Technische Universität Darmstadt, Otto-Berndt-Strasse 3, D-64287, Darmstadt, Germany. albe@mm.tu-darmstadt.de.ORCID http://orcid.org/0000-0003-4669-8056
Volker L DeringerDepartment of Chemistry, Inorganic Chemistry Laboratory, University of Oxford, Oxford, OX1 3QR, United Kingdom. volker.deringer@chem.ox.ac.uk.ORCID http://orcid.org/0000-0001-6873-0278
Technische Universität Darmstadt · DEUniversity of Oxford · GB

Funding

Bundesministerium für Bildung und Forschung (Federal Ministry of Education and Research) 03XP0174ADeutsche Forschungsgemeinschaft (German Research Foundation) 405621137Deutsche Forschungsgemeinschaft (German Research Foundation) 521536863
6 · The paper itself

Abstract

Silicon-oxygen compounds are among the most important ones in the natural sciences, occurring as building blocks in minerals and being used in semiconductors and catalysis. Beyond the well-known silicon dioxide, there are phases with different stoichiometric composition and nanostructured composites. One of the key challenges in understanding the Si-O system is therefore to accurately account for its nanoscale heterogeneity beyond the length scale of individual atoms. Here we show that a unified computational description of the full Si-O system is indeed possible, based on atomistic machine learning coupled to an active-learning workflow. We showcase applications to very-high-pressure silica, to surfaces and aerogels, and to the structure of amorphous silicon monoxide. In a wider context, our work illustrates how structural complexity in functional materials beyond the atomic and few-nanometre length scales can be captured with active machine learning.

Identifiers

PMID38431626
PMCPMC10908788
OpenAlexW4392348184

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.