Machine Learning–Driven Insights Into the Self‐Assembly of Gold–Thiolate Nanoclusters

ABSTRACT Thiolate‐protected gold nanoclusters occupy a unique domain between molecular complexes and metallic nanoparticles, exhibiting size‐specific electronic structure, ligand‐mediated stability, and emergent collective behavior during synthesis. This work introduces and validates a machine learn...

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Главные авторы:	Maryam Sabooni Asre Hazer, Hannu Häkkinen
Формат:	Artigo
Язык:	Inglês
Опубликовано:	Wiley 2026-05-01
Серии:	Aggregate
Предметы:	aggregation machine learning interatomic potential  density functional theory molecular dynamics simulation self‐assembly thiolate‐protected gold nanoclusters
Online-ссылка:	https://doi.org/10.1002/agt2.70364
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