38 citations · 51 across the 10 of their papers we have counts for
6 papers · 1 filter
Influence of low frequency modes on dynamical concertedness in double proton transfer dynamics
Priyanka Pandey, Shibabrat Naik, Srihari Keshavamurthy
We analyze the classical phase space dynamics of a three degree of freedom Hamiltonian that models multiple bond breaking and forming reactions. The model Hamiltonian, inspired fro…
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…
Quantum dynamics of a one degree-of-freedom Hamiltonian saddle-node bifurcation
Wenyang Lyu, Shibabrat Naik, Stephen Wiggins
In this paper, we study the quantum dynamics of a one degree-of-freedom (DOF) Hamiltonian that is a normal form for a saddle node bifurcation of equilibrium points in phase space.…
Predicting trajectory behaviour via machine-learned invariant manifolds
Vladimír Krajňák, Shibabrat Naik, Stephen Wiggins
In this paper, we use support vector machines (SVM) to develop a machine learning framework to discover phase space structures that distinguish between distinct reaction pathways.…
A new stochastic framework for ship capsizing
Manuela L. Bujorianu, Robert S. MacKay, Tobias Grafke +2
We present a new stochastic framework for studying ship capsize. It is a synthesis of two strands of transition state theory. The first is an extension of deterministic transition…
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…