Evidence map›Paper›PMID 39213603›Full record

ArticleJournal of chemical theory and computation2024

An Improved Penalty-Based Excited-State Variational Monte Carlo Approach with Deep-Learning Ansatzes.

P Bernát Szabó, Zeno Schätzle, Michael T Entwistle, Frank Noé

Abstract read
In one paragraph

Article in Journal of chemical theory and computation, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. Analyzing Atomic Interactions in Molecules as Learned by Neural Networks.Journal of chemical theory and computation · 2025
    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.

P Bernát SzabóDepartment of Mathematics and Computer Science, FU Berlin, Arnimallee 6, Berlin 14195, Germany.ORCID 0000-0003-1824-8322
Zeno SchätzleDepartment of Mathematics and Computer Science, FU Berlin, Arnimallee 6, Berlin 14195, Germany.
Michael T EntwistleDepartment of Mathematics and Computer Science, FU Berlin, Arnimallee 6, Berlin 14195, Germany.ORCID 0000-0001-8049-8563
Frank NoéDepartment of Mathematics and Computer Science, FU Berlin, Arnimallee 6, Berlin 14195, Germany.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We introduce several improvements to the penalty-based variational quantum Monte Carlo (VMC) algorithm for computing electronic excited states of Entwistle et al. [Nat. Commun.

Identifiers

PMID39213603
PMCPMC11428158

What OpenQuestion holds

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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.