Lost in Translation: Simulation-Informed Bayesian Inference Improves Characterization of Molecular Motion from Neutron Scattering.

Harry Richardson, Kit McColl, Gøran J Nilsen, Jeff Armstrong, Andrew R McCluskey

Abstract read

In one paragraph

Article in The journal of physical chemistry letters, 2026. 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.

Lost in Translation: Simulation-Informed Bayesian Inference Improves Characterization of Molecular Motion from Neutron Scattering.The journal of physical chemistry letters · 2026
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

5 authors.

Harry RichardsonCentre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.

Kit McCollDepartment of Materials, University of Oxford, Parks Road, Oxford OX1 3PH, U.K.

Gøran J NilsenISIS Pulsed Neutron and Muon Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX, U.K.

Jeff ArmstrongISIS Pulsed Neutron and Muon Facility, Rutherford Appleton Laboratory, Didcot OX11 0QX, U.K.ORCID 0000-0002-8326-3097

Andrew R McCluskeyCentre for Computational Chemistry, School of Chemistry, University of Bristol, Cantock's Close, Bristol BS8 1TS, U.K.ORCID 0000-0003-3381-5911

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Quasi-elastic neutron scattering (QENS) probes atomic and molecular motion on length and time scales central to catalysis, energy materials, and gas adsorption. However, conventional analytical fitting of QENS spectra often fails to uniquely determine the underlying dynamics. The flexibility of simplified line-shape models can make spectra generated by distinct physical processes statistically indistinguishable, leading to an ambiguous or inaccurate mechanistic interpretation. By integrating molecular dynamics simulations, physically derived

Identifiers

PMID42423538

DOI10.1021/acs.jpclett.6c01399

PMCPMC13557505

What OpenQuestion holds

Textmetadata

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.