Flows in complex networks: theory, algorithms, and application to Lennard–Jones cluster rearrangement

M Cameron, E Vanden-Eijnden - Journal of Statistical Physics, 2014 - Springer
A set of analytical and computational tools based on transition path theory (TPT) is proposed
to analyze flows in complex networks. Specifically, TPT is used to study the statistical …

Identifying mechanistically distinct pathways in kinetic transition networks

DJ Sharpe, DJ Wales - The Journal of Chemical Physics, 2019 - pubs.aip.org
We present an implementation of a scalable path deviation algorithm to find the k most
kinetically relevant paths in a transition network, where each path is distinguished on the …

Computing the asymptotic spectrum for networks representing energy landscapes using the minimal spanning tree

MK Cameron - arXiv preprint arXiv:1402.2869, 2014 - arxiv.org
The concept of metastability has caused a lot of interest in recent years. The spectral
decomposition of the generator matrix of a stochastic network exposes all of the transition …

[HTML][HTML] Metastability, spectrum, and eigencurrents of the Lennard-Jones-38 network

MK Cameron - The Journal of Chemical Physics, 2014 - pubs.aip.org
We develop computational tools for spectral analysis of stochastic networks representing
energy landscapes of atomic and molecular clusters. Physical meaning and some properties …

A coarse-grained model of the expansion of the human rhinovirus 2 capsid reveals insights in genome release

G Indelicato, P Cermelli… - Journal of the Royal …, 2019 - royalsocietypublishing.org
Human rhinoviruses are causative agents of the common cold. In order to release their RNA
genome into the host during a viral infection, these small viruses must undergo …

A graph-algorithmic approach for the study of metastability in Markov chains

T Gan, M Cameron - Journal of Nonlinear Science, 2017 - Springer
Large continuous-time Markov chains with exponentially small transition rates arise in
modeling complex systems in physics, chemistry, and biology. We propose a constructive …

Spectral analysis and clustering of large stochastic networks. Application to the Lennard-Jones-75 cluster

M Cameron, T Gan - Molecular Simulation, 2016 - Taylor & Francis
We consider stochastic networks with pairwise transition rates of the form where the
temperature T is a small parameter. Such networks arise in physics and chemistry and serve …

Metastability in a class of hyperbolic dynamical systems perturbed by heavy-tailed Lévy type noise

M Högele, I Pavlyukevich - Stochastics and Dynamics, 2015 - World Scientific
We consider a finite dimensional deterministic dynamical system with finitely many local
attractors Kι, each of which supports a unique ergodic probability measure Pι, perturbed by a …

Spectral analysis for a discrete metastable system driven by lévy flights

T Burghoff, I Pavlyukevich - Journal of Statistical Physics, 2015 - Springer
In this paper we consider a finite state time discrete Markov chain that mimic the behaviour
of solutions of the stochastic differential equation X_ t^ ε (x)= x-∫ _0^ t U^ ′ (X_ s^ ε)\, d s+ …

Flux in tilted potential systems: negative resistance and persistence

Y Baryshnikov, MD Kvalheim - Communications in Mathematical Physics, 2023 - Springer
Many real-world systems are well-modeled by Brownian particles subject to gradient
dynamics plus noise arising, eg, from the thermal fluctuations of a heat bath. Of central …