94 citations · 677 across the 51 of their papers we have counts for
4 papers · 2 filters
Support vector machines for learning reactive islands
Shibabrat Naik, Vladimír Krajňák, Stephen Wiggins
We develop a machine learning framework that can be applied to data sets derived from the trajectories of Hamilton's equations. The goal is to learn the phase space structures that…
The Dynamical Significance of Valley-Ridge Inflection Points
V. J. García-Garrido, S. Wiggins
In this paper we demonstrate that valley-ridge inflection (VRI) points of a potential energy surface (PES) have a dynamical influence on the fate of trajectories of the underlying…
A bridge between invariant dynamical structures and uncertainty quantification
Guillermo García-Sánchez, Ana M. Mancho, Stephen Wiggins
We develop a new quantifier for forward time uncertainty for trajectories that are solutions of models generated from data sets. Our uncertainty quantifier is defined on the phase…
Hamiltonian pitchfork bifurcation in transition across index-1 saddles
Wenyang Lyu, Shibabrat Naik, Stephen Wiggins
We study the effect of changes in the parameters of a two-dimensional potential energy surface on the phase space structures relevant for chemical reaction dynamics. The changes in…