activity
20172026
most citedFinding NHIM: Identifying High Dimensional Phase Space Structures in Reaction Dynamics using Lagrangian Descriptors

38 citations · 148 across the 17 of their papers we have counts for

collaborators

17 papers

physics.plasm-ph2026

Divertor topology and vacuum vessel design for stellarators

Andrew Giuliani, Raffael Wendlinger, Misha Padidar +4

We present stellarator optimization algorithms for designing the edge magnetic structure in vacuum fields, together with the vacuum vessel. First, we introduce a numerical method t…

physics.plasm-ph2026

STAR_Lite: A stellarator designed to experimentally validate non-resonant divertors

Georg Friedrich Harrer, Andrew Giuliani, Misha Padidar +3

The non-resonant divertor (NRD) offers a promising exhaust solution for stellarators, combining topological simplicity with resilience to magnetic field perturbations. To experimen…

math.DS2023

Escape from a potential well under forcing and damping with application to ship capsize

Alex McSweeney-Davis, R. S. MacKay, Shibabrat Naik

Escape from a potential well occurs in a wide variety of physical systems from chemical reactions to ship capsize. In these situations escape often occurs by passage over a normall…

physics.chem-ph2021★ 7 cited

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…

math.DS2021★ 1 cited

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…

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.…

physics.chem-ph2021★ 4 cited

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.…

math.DS2021★ 1 cited

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★ 4 cited

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★ 7 cited

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★ 5 cited

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…

nlin.CD2019★ 23 cited

Tilting and Squeezing: Phase space geometry of Hamiltonian saddle-node bifurcation and its influence on chemical reaction dynamics

Víctor J. García-Garrido, Shibabrat Naik, Stephen Wiggins

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 goa…

math.DS2019★ 28 cited

Finding NHIM in 2 and 3 degrees-of-freedom with Hénon-Heiles type potential

Shibabrat Naik, Stephen Wiggins

We present the capability of Lagrangian descriptors for revealing the high dimensional phase space structures that are of interest in nonlinear Hamiltonian systems with index-1 sad…

math.DS2019★ 38 cited

Finding NHIM: Identifying High Dimensional Phase Space Structures in Reaction Dynamics using Lagrangian Descriptors

Shibabrat Naik, Víctor J. García-Garrido, Stephen Wiggins

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

nlin.CD2018★ 21 cited

Experimental validation of phase space conduits of transition between potential wells

Shane D. Ross, Amir E. BozorgMagham, Shibabrat Naik +1

A phase space boundary between transition and non-transition, similar to those observed in chemical reaction dynamics, is shown experimentally in a macroscopic system. We present a…

math.DS2017★ 9 cited

Computational Method for Phase Space Transport with Applications to Lobe Dynamics and Rate of Escape

Shibabrat Naik, Francois Lekien, Shane D. Ross

Lobe dynamics and escape from a potential well are general frameworks introduced to study phase space transport in chaotic dynamical systems. While the former approach studies how…