Publications (9)
Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone
Frédéric A. L. Mauguière, Peter Collins, Zeb C. Kramer +4
We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic in…
Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points
Peter Collins, Barry K. Carpenter, Gregory S. Ezra +1
We study reaction dynamics on a model potential energy surface exhibiting post-transition state bifurcation in the vicinity of a valley ridge inflection point. We compute fractiona…
Phase space structure and dynamics for the Hamiltonian isokinetic thermostat
Peter Collins, Gregory S. Ezra, Stephen Wiggins
We investigate the phase space structure and dynamics of a Hamiltonian isokinetic thermostat, for which ergodic thermostat trajectories at fixed (zero) energy generate a canonical…
Index k saddles and dividing surfaces in phase space, with applications to isomerization dynamics
Peter Collins, Gregory S. Ezra, Stephen Wiggins
In this paper we continue our studies of the phase space geometry and dynamics associated with index k saddles (k > 1) of the potential energy surface. Using normal form theory, we…
European Space Agency Benchmark for Anomaly Detection in Satellite Telemetry
Krzysztof Kotowski, Christoph Haskamp, Jacek Andrzejewski +8
Machine learning has vast potential to improve anomaly detection in satellite telemetry which is a crucial task for spacecraft operations. This potential is currently hampered by a…
Multiple Transition States and Roaming in Ion-Molecule Reactions: a Phase Space Perspective
Frederic A. L. Mauguiere, Peter Collins, Gregory S. Ezra +2
We provide a dynamical interpretation of the recently identified `roaming' mechanism for molecular dissociation reactions in terms of geometrical structures in phase space. These a…
Isomerization dynamics of a buckled nanobeam
Peter Collins, Gregory S. Ezra, Stephen Wiggins
We analyze the dynamics of a model of a nanobeam under compression. The model is a two mode truncation of the Euler-Bernoulli beam equation subject to compressive stress. We consid…
Roaming dynamics in Ketene isomerization
Frédéric A. L. Mauguière, Peter Collins, Gregory S. Ezra +2
A reduced two dimensional model is used to study Ketene isomerization reaction. In light of recent results by Ulusoy \textit{et al.} [J.\ Phys.\ Chem.\ A {\bf 117}, 7553 (2013)], t…
Nonstatistical dynamics on the caldera
Peter Collins, Zeb C. Kramer, Barry K. Carpenter +2
We explore both classical and quantum dynamics of a model potential exhibiting a caldera: that is, a shallow potential well with two pairs of symmetry related index one saddles ass…