ArticleNature computational science2025
Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface.
Article in Nature computational science, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
What it found
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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
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Who cites it
4 citing papers in PubMed.
- Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential.The journal of physical chemistry letters · 2026Article
- The ADePT framework for assessing autonomous laboratory robotics.Communications chemistry · 2026Review
- Probing the Surface Chemistry of Lithium Nitridation.Journal of the American Chemical Society · 2025Article
- Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surface.Nature computational science · 2025Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
Directly visualizing chemical trajectories offers insights into catalysis, gas-phase reactions and photoinduced dynamics. Tracking the transformation of chemical species is best achieved by coupling theory and experiment. Here we developed Digital Twin for Chemical Science (DTCS) v.01, which integrates theory, experiment and their bidirectional feedback loops into a unified platform for chemical characterization. DTCS addresses a core question: given a set of experimental conditions, what is the expected outcome and why? It consists of a forward solver that takes a chemical reaction network and predicts spectra under experimental conditions, and an inverse solver that infers kinetics from measured spectra. We applied DTCS to ambient-pressure X-ray photoelectron spectroscopy measurements of the Ag-H
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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.