159 citations · 457 across the 18 of their papers we have counts for
Showing 2026Show all
2 papers · 1 filter
physics.chem-ph2026
Atomistic Modeling for Electro-chemical Reactions
K. Doblhoff-Dier, B. Ballotta, L. Bonati +16
Computational modeling plays a central role in advancing our understanding of electro-chemical reactions and may thus guide the rational development of sustainable energy technolog…
physics.comp-ph2026
SelfTICA: contrastive learning of dynamical representations for rare-event sampling and characterization
Kai Zhu, Jintu Zhang, Pietro Novelli +2
Rare events govern many important molecular processes but remain difficult to characterize within accessible simulation timescales. This challenge has motivated machine-learning me…