ArticleSmall (Weinheim an der Bergstrasse, Germany)2026
Hydroxide Mobility in Aqueous Systems: Combining Ab Initio Accuracy with Millisecond Timescales.
Article in Small (Weinheim an der Bergstrasse, Germany), 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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.
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.
Who cites it
2 citing papers in PubMed.
- Universal Interatomic Potentials as Configuration-Space Generators for One-Shot and Iterative Fine-Tuning of Ab Initio-Accurate Material-Specific Models.The journal of physical chemistry letters · 2026Article
- Fine-Tuning Unifies Foundational Machine-Learned Interatomic Potential Architectures atThe journal of physical chemistry letters · 2026Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
6 authors.
Funding
Abstract
A multiscale simulation approach is presented for hydroxide transport in aqueous solutions of potassium hydroxide, combining ab initio molecular dynamics (AIMD) simulations with force field ensemble averaging and lattice Monte Carlo techniques. This method achieves near ab initio accuracy by capturing the femtosecond scale dielectric relaxation dynamics of the aqueous hydrogen bonding network, while extending the simulation capability to millisecond diffusion timescales. This extraordinary extension of the available length and time scales enables future studies of hydroxide mobility in functional materials such as nanostructured anion-exchange membranes, where hydroxide ions migrate through nanometer-sized channels. Remarkably, this approach demonstrates that a single AIMD trajectory is sufficient to predict hydroxide conductivity over a range of concentrations, underscoring its computational efficiency and relevance to the design of advanced energy materials.
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Registered trials
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.