Machine learning activation energies of chemical reactions
(2021)
Journal Article
Lewis-Atwell, T., Townsend, P. A., & Grayson, M. N. (2022). Machine learning activation energies of chemical reactions. Wiley Interdisciplinary Reviews: Computational Molecular Science, 12(4), e1593. https://doi.org/10.1002/wcms.1593
Application of machine learning (ML) to the prediction of reaction activation barriers is a new and exciting field for these algorithms. The works covered here are specifically those in which ML is trained to predict the activation energies of homoge... Read More about Machine learning activation energies of chemical reactions.