In this article, we present the influence of a Hamiltonian saddle-node bifurcation on the high-
dimensional phase space structures that mediate reaction dynamics. To achieve this goal …

Dynamics between reactants and products are often mediated by a rate-determining barrier
and an associated dividing surface leading to the transition state theory rate. This framework …

In this paper we bring together the method of Lagrangian descriptors and the principle of
least action, or more precisely, of stationary action, in both deterministic and stochastic …

Reaction rates of chemical reactions under nonequilibrium conditions can be determined
through the construction of the normally hyperbolic invariant manifold (NHIM)[and moving …

This research paper presents an analysis of the propagation of the SARS-CoV-2, or other
similar pathogens, in a hospital isolation room using computational fluid dynamics (CFD) …

Transition state theory formally provides a simplifying approach for determining chemical
reaction rates and pathways. Given an underlying potential energy surface for a reactive …

The persistence of a transition state structure in systems driven by time-dependent
environments allows the application of modern reaction rate theories to solution-phase and …

Phase space structures such as dividing surfaces, normally hyperbolic invariant manifolds,
and their stable and unstable manifolds have been an integral part of computing quantitative …

We explore here the feasibility of using the recently introduced Lagrangian descriptors [AM
Mancho, Commun. Nonlinear Sci. Numer. Simul. 18, 3530 (2013) 1007-5704 10.1016/j …

We present a method based on a Lagrangian descriptor for revealing the high-dimensional
phase space structures that are of interest in nonlinear Hamiltonian systems with index-1 …