activity
20182021
most citedFinding NHIM: Identifying High Dimensional Phase Space Structures in Reaction Dynamics using Lagrangian Descriptors

38 citations · 38 across the 3 of their papers we have counts for

collaborators

10 papers

quant-ph2021

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.…

math.DS2021

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…

math.DS2021

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…

physics.chem-ph2020

Classical and quantum dynamical manifestations of index-2 saddles: concerted versus sequential reaction mechanisms

Priyanka Pandey, Shibabrat Naik, Srihari Keshavamurthy

The presence of higher index saddles on a multidimensional potential energy surface is usually assumed to be of little significance in chemical reaction dynamics. Such a viewpoint…

nlin.CD2020

Elementary exposition of realizing phase space structures relevant to chemical reaction dynamics

Wenyang Lyu, Shibabrat Naik, Stephen Wiggins

In this article, we review the analytical and numerical approaches for computing the phase space structures in two degrees-of-freedom Hamiltonian systems that arise in chemical rea…

physics.chem-ph2020

The role of depth and flatness of a potential energy surface in chemical reaction dynamics

Wenyang Lyu, Shibabrat Naik, Stephen Wiggins

In this study, we analyze how changes in the geometry of a potential energy surface in terms of depth and flatness can affect the reaction dynamics. We formulate depth and flatness…