Current and future machine learning approaches for modeling atmospheric cluster formation.
basic_science · Level V
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- Record sourced from PubMed, PMID 38177415.
- Also identified by DOI 10.1038/s43588-023-00435-0.
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Abstract
The formation of strongly bound atmospheric molecular clusters is the first step towards forming new aerosol particles. Recent advances in the application of machine learning models open an enormous opportunity for complementing expensive quantum chemical calculations with efficient machine learning predictions. In this Perspective, we present how data-driven approaches can be applied to accelerate cluster configurational sampling, thereby greatly increasing the number of chemically relevant systems that can be covered.