Evidence map›Paper›PMID 33705118›Full record

ArticleChemical reviews2021

Machine Learning Force Fields.

Oliver T Unke, Stefan Chmiela, Huziel E Sauceda, Michael Gastegger, Igor Poltavsky, Kristof T Schütt, Alexandre Tkatchenko, Klaus-Robert Müller

Abstract read
In one paragraph

Article in Chemical reviews, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 405 papers.

0numbers the graph read from it
0cells of the map it votes in
405citing 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

405 citing papers in PubMed.

  1. Article
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  3. Evidence for multi-LiNature · 2026
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  15. Article
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  18. Automating Model Building for SPM Images of Biomolecules Using MISO.Journal of chemical information and modeling · 2026
    Article
  19. Article
  20. Article

345 more citing papers are in PubMed but not listed here.

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

8 authors.

Oliver T UnkeMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.ORCID 0000-0001-7503-406X
Stefan ChmielaMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.
Huziel E SaucedaMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.ORCID 0000-0001-6091-3408
Michael GasteggerMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.
Igor PoltavskyDepartment of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.ORCID 0000-0002-3188-7017
Kristof T SchüttMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.ORCID 0000-0001-8342-0964
Alexandre TkatchenkoDepartment of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.ORCID 0000-0002-1012-4854
Klaus-Robert MüllerMachine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany.ORCID 0000-0002-3861-7685

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In recent years, the use of machine learning (ML) in computational chemistry has enabled numerous advances previously out of reach due to the computational complexity of traditional electronic-structure methods. One of the most promising applications is the construction of ML-based force fields (FFs), with the aim to narrow the gap between the accuracy of

Identifiers

PMID33705118
PMCPMC8391964

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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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.