A while online now already: Predict the barrier of a reaction without knowing the transition state and in the low data regime using Gaussian Process regr.

Led by Evgeni Ulanov, with Ghulam, Kai and Pascal Friederich @ KIT.
@mpip-mainz.mpg.de @hitsters.bsky.social

https://pubs.rsc.org/en/content/articlehtml/2025/dd/d4dd00174e