Expanding the Horizons of Machine Learning in Nanomaterials to Chiral Nanostructures

Abstract Machine learning holds significant research potential in the field of nanotechnology, enabling nanomaterial structure and property predictions, facilitating materials design and discovery, and reducing the need for time‐consuming and labor‐intensive experiments and simulations. In contrast to their achiral counterparts, the application of machine learning for chiral nanomaterials is still in its infancy, with a limited number of publications to date. This is despite the great potential of machine learning to advance the development of new sustainable chiral materials with high values of optical activity, circularly polarized luminescence, and enantioselectivity, as well as for the analysis of structural chirality by electron microscopy. In this review, an analysis of machine learning methods used for studying achiral nanomaterials is provided, subsequently offering guidance on adapting and extending this work to chiral nanomaterials. An overview of chiral nanomaterials within the framework of synthesis–structure–property–application relationships is presented and insights on how to leverage machine learning for the study of these highly complex relationships are provided. Some key recent publications are reviewed and discussed on the application of machine learning for chiral nanomaterials. Finally, the review captures the key achievements, ongoing challenges, and the prospective outlook for this very important research field.