Evidence map›Paper›PMID 42899130›Full record

ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2026

Modeling Reactions on the Solid-Liquid Interface with Next Generation Extended Lagrangian Quantum-Based Molecular Dynamics.

Rae A Corrigan Grove, Kevin G Kleiner, Joshua Finkelstein, Ivana Matanovic, Michael E Wall, Travis E Jones, Anders M N Niklasson, Christian F A Negre

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Rae A Corrigan GroveTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.ORCID https://orcid.org/0000-0003-3628-9347
Kevin G KleinerDepartment of Physics, University of Illinois Urbana-Champaign, Urbana-Champaign, Illinois 61820, United States.
Joshua FinkelsteinTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.ORCID https://orcid.org/0000-0002-1506-6008
Ivana MatanovicTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.ORCID https://orcid.org/0000-0002-9191-8620
Michael E WallComputing and Artificial Intelligence Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.ORCID https://orcid.org/0000-0003-1000-688X
Travis E JonesTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.
Anders M N NiklassonTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.ORCID https://orcid.org/0000-0003-1856-4982
Christian F A NegreTheoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We present a series of simulations of the oxygen reduction reaction (ORR) using a novel framework for atomistic simulations of surface catalysis under electrochemical bias. The framework makes use of quantum-mechanical extended Lagrangian Born-Oppenheimer molecular dynamics (XL-BOMD) simulations, which provide the speed and accuracy required for explicit atomistic treatment of both electrode and electrolyte. Simulations of solvated O

Identifiers

PMID42899130
PMCPMC13679046

What OpenQuestion holds

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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.