14 citations · 50 across the 8 of their papers we have counts for
6 papers · 1 filter
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…
Roaming in acetaldehyde
Vladimír Krajňák, Stephen Wiggins
We investigate roaming in the photodissociation of acetaldehyde (CHCHO), providing insight into the contrasting roaming dynamics observed for this molecule compared to formalde…
Using Lagrangian descriptors to uncover invariant structures in Chesnavich's Isokinetic Model with application to roaming
Vladimir Krajnak, Gregory S. Ezra, Stephen Wiggins
Complementary to existing applications of Lagrangian descriptors as an exploratory method, we use Lagrangian descriptors to find invariant manifolds in a system where some invarian…
Dynamics of the Morse Oscillator: Analytical Expressions for Trajectories, Action-Angle Variables, and Chaotic Dynamics
Vladimír Krajňák, Stephen Wiggins
We consider the one degree-of-freedom Hamiltonian system defined by the Morse potential energy function (the "Morse oscillator"). We use the geometry of the level sets to construct…
Influence of mass and potential energy surface geometry on roaming in Chesnavich's CH model
Vladimir Krajnak, Stephen Wiggins
Chesnavich's model Hamiltonian for the reaction CH CH is known to exhibit a range of interesting dynamical phenomena including roaming. The model system con…
The phase space geometry underlying roaming reaction dynamics
Vladimir Krajnak, Holger Waalkens
Recent studies have found an unusual way of dissociation in formaldehyde. It can be characterized by a hydrogen atom that separates from the molecule, but instead of dissociating i…