Predicting mechanisms and outcomes of complex radical cascades via a hybrid, network-QM-AI approach

Kangjie Lin

Submission Type: I want my submission to be considered for poster only

Keywords: radical cascade, reaction mechanism prediction, reaction outcome prediction, quantum chemistry, machine learning

TL;DR: A hybrid quantum–mechanistic reaction network framework enables accurate prediction of complex multi-step radical cascade mechanisms and product distributions.

Confirmation Of Submission Requirements: I submit an abstract. It uses the template provided on the submission page and is no longer than 2 pages.

Submission Number: 380