From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions. - Radu A. Talmazan; Christophe Chipot (J. Chem. Inf. Model., 2026)

Learning the committor without collective variables. - Sergio Contreras Arredondo; Chenyu Tang; Radu A. Talmazan; Alberto Megías; Cheng Giuseppe Chen; Christophe Chipot (Nat. Comput. Sci., 2026)