ArticleNature communications2025
Machine learning-driven molecular dynamics unveils a bulk phase transformation driving ammonia synthesis on barium hydride.
Article in Nature communications, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 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.
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Who cites it
9 citing papers in PubMed.
- Methods for the establishment of enzymatic mechanisms - from QM to ML.Chemical science · 2026Review
- The role of the NNature communications · 2026Article
- Synthesis of aniline from dinitrogen and benzene mediated by magnesium oxide supported sodium hydride.Nature communications · 2026Article
- Electrochemical potential-driven water dynamics control CONature communications · 2025Article
- Reductive Nitrogen Species Activation via Pulsed Electrolysis: Recent Advances and Future Prospects.Angewandte Chemie (International ed. in English) · 2025Review
- High-Performance Fe-MoSACS sustainable chemistry & engineering · 2025Article
- Introducing the Coupled-Cluster Theory to the Amorphous World of Liquids and Their Thermodynamic Simulations.Journal of chemical theory and computation · 2025Article
- No Time for Nitrides: How Cobalt Alloying Promotes Iron Catalysts for Ammonia Decomposition.ACS catalysis · 2025Article
- Hierarchical hollow nanospheres of imine-based covalent organic frameworks with built-in Ag sites for fast-charging lithium metal batteries.Chemical science · 2025Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The modern view of industrial heterogeneous catalysis is evolving from the traditional static paradigm where the catalyst merely provides active sites, to that of a functional material in which dynamics plays a crucial role. Using machine learning-driven molecular dynamics simulations, we confirm this picture for the ammonia synthesis catalysed by BaH
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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.