ArticleACS nano2024
Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential.
Article in ACS nano, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
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Who cites it
5 citing papers in PubMed.
- Photoluminescence of ligand-protected gold nanoclusters: progress in experimental and theoretical studies.Chemical science · 2026Review
- Thermal dynamics and coalescence of AuNature communications · 2025Article
- Predicting the Optical Properties of Gold Nanoclusters Using Machine Learning Approach.ACS omega · 2025Article
- Deciphering the complexities of crystalline state(s) with molecular simulations.Communications chemistry · 2025Review
- Molecular Gold Nanoclusters for Advanced NIR-II Bioimaging and Therapy.Chemical reviews · 2025Review
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Authors and funding
5 authors.
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Abstract
Monolayer protected metal clusters comprise a rich class of molecular systems and are promising candidate materials for a variety of applications. While a growing number of protected nanoclusters have been synthesized and characterized in crystalline forms, their dynamical behavior in solution, including prenucleation cluster formation, is not well understood due to limitations both in characterization and first-principles modeling techniques. Recent advancements in machine-learned interatomic potentials are rapidly enabling the study of complex interactions such as dynamical behavior and reactivity on the nanoscale. Here, we develop an Au-S-C-H atomic cluster expansion (ACE) interatomic potential for efficient and accurate molecular dynamics simulations of thiolate-protected gold nanoclusters (Au
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