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We report a new algorithm for constructing pathways between local minima that involve a large number of intervening transition states on the potential energy surface. A significant improvement in efficiency has been achieved by changing the…
Predicting the occurence of rare and extreme events in complex systems is a well-known problem in non-equilibrium physics. These events can have huge impacts on human societies. New approaches have emerged in the last ten years, which…
De la Cruz et al. [Phys. Rev. Lett. 120, 128102 (2018); arXiv:1705.08683] studied a noise-induced transition in an oscillating stochastic population undergoing birth- and death-type reactions. They applied the Freidlin-Wentzell WKB…
In this work, we address the convergence of a finite element approximation of the minimizer of the Freidlin-Wentzell (F-W) action functional for non-gradient dynamical systems perturbed by small noise. The F-W theory of large deviations is…
We present a new efficient transition pathway search method based on the least action principle and the Gaussian process regression method. Most pathway search methods developed so far rely on string representations, which approximate a…
In this paper we compute and analyse the transition rates and duration of reactive trajectories of the stochastic 1-D Allen-Cahn equations for both the Freidlin-Wentzell regime (weak noise or temperature limit) and finite-amplitude white…
Phase equilibrium calculation, also known as flash calculation, plays significant roles in various aspects of petroleum and chemical industries. Since Michelsen proposed his milestone studies in 1982, through several decades of development,…
The aim of this paper is to develop tractable large deviation approximations for the empirical measure of a small noise diffusion. The starting point is the Freidlin-Wentzell theory, which shows how to approximate via a large deviation…
We consider diffusion-like paths that are explored by a particle moving via a conservative force while being in thermal equilibrium with its surroundings. To probe rare transitions, we use the Onsager-Machlup (OM) functional as a path…
This paper investigates the position (state) distribution of the single step binomial (multi-nomial) process on a discrete state / time grid under the assumption that the velocity process rather than the state process is Markovian. In this…
Freidlin-Wentzell theory of large deviations can be used to compute the likelihood of extreme or rare events in stochastic dynamical systems via the solution of an optimization problem. The approach gives exponential estimates that often…
We introduce an algorithm based on Generalized Dual Method (GDM) to efficiently study the dynamics of a particle in quasiperiodic environments without the need to use periodic approximations or to save the information of the vertices that…
Geodesic problems involve computing trajectories between prescribed initial and final states to minimize a user-defined measure of distance, cost, or energy. They arise throughout physics and engineering -- for instance, in determining…
We prove under mild conditions that the Fleming-Viot process selects the minimal quasi-stationary distribution for Markov processes with soft killing on non-compact state spaces. Our results are applied to multi-dimensional birth and death…
The solution to nonlinear Fokker-Planck equation is constructed in terms of the minimal Markov semigroup generated by the equation. The semigroup is obtained by a purely functional analytical method via Hille-Yosida theorem. The existence…
We propose a trajectory-based quasiclassical method for approximating dynamics in condensed phase systems. Building upon the previously developed Optimized Mean Trajectory (OMT) approximation that has been used to compute linear and…
The systematic of the spontaneous fission half-lives for the nuclei $^{242-262}$Fm and $^{250-260}$No is analyzed, within a least action scheme, with the parametrization D1M of the Gogny energy density functional. The properties of the…
The Cahn-Hilliard equation is a fundamental model for describing phase separation phenomena in binary mixtures. Traditional numerical methods, such as finite difference and finite element methods, often incur substantial computational cost,…
Consider the symmetric exclusion process evolving on an interval and weakly interacting at the end-points with reservoirs. Denote by $I_{[0,T]} (\cdot)$ its dynamical large deviations functional and by $V(\cdot)$ the associated…
A common approach to quantify excess dissipation in slowly driven thermodynamic processes is through the use of a Riemannian metric on the space of control parameters, where optimal driving protocols follow geodesics. Near phase…