Evidence map›Paper›PMID 40724420›Full record

ReviewEntropy (Basel, Switzerland)2025

Including Quantum Effects in Molecular Simulations Using the Feynman-Kleinert Linearized Path Integral Method.

Jens Aage Poulsen, Gunnar Nyman

Abstract readReview
In one paragraph

Review in Entropy (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Review
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

2 authors.

Jens Aage PoulsenDepartment of Chemistry and Molecular Biology, University of Gothenburg, SE 413 90 Gothenburg, Sweden.
Gunnar NymanDepartment of Chemistry and Molecular Biology, University of Gothenburg, SE 413 90 Gothenburg, Sweden.ORCID 0000-0002-9527-3890

Funding

Swedish Research Council 2020-05293
6 · The paper itself

Abstract

During the last few decades, several approximate, but useful, methods for including dynamical quantum effects in molecular simulations have been developed. These methods can be applied to systems with hundreds of degrees of freedom and with arbitrary potentials. Among these methods, we find the Feynman-Kleinert linearized path integral model, including its planetary versions, which are the focus of this review. The aim is to calculate quantum correlation functions for complex systems. Many important properties, e.g., transport coefficients, may thus be obtained. We summarize important applications of the method, and compare them to alternative ones, such as centroid molecular dynamics and ring polymer molecular dynamics. We finally discuss possible future improvements of the FK-LPI method.

Indexed as

Boltzmann distributionclassical trajectoriesFeynman path integralWigner distribution

Identifiers

PMID40724420
PMCPMC12294589

What OpenQuestion holds

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LicenceCC BY
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Registered trials

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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.