Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis

Primer Paper for Reaction pathway prediction. Primer/perspective candidate for entering Reaction pathway prediction; selected for broad framing, teachability, venue strength, and citation signal.

Citation: Jiayan Xu, Xiao-Ming Cao, P. Hu. Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis. Physical Chemistry Chemical Physics 2021. https://doi.org/10.1039/d1cp01349a

Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.