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I give an overview of rare event simulation techniques to generate dynamical pathways across high free energy barriers. The methods on which I will concentrate are the reactive flux approach, transition path sampling, (replica-exchange)…

统计力学 · 物理学 2015-03-17 Titus S. van Erp

Interacting particle systems with many degrees of freedom may undergo phase transitions to sustain atypical fluctuations of dynamical observables such as the current or the activity. This leads in some cases to symmetry-broken space-time…

统计力学 · 物理学 2019-08-23 Carlos Pérez-Espigares , Pablo I. Hurtado

Atypical, rare trajectories of dynamical systems are important: they are often the paths for chemical reactions, the haven of (relative) stability of planetary systems, the rogue waves that are detected in oil platforms, the structures that…

统计力学 · 物理学 2012-04-12 Cristian Giardina , Jorge Kurchan , Vivien Lecomte , Julien Tailleur

Transition path sampling is a method for estimating the rates of rare events in molecular systems based on the gradual transformation of a path distribution containing a small fraction of reactive trajectories into a biased distribution in…

统计力学 · 物理学 2015-10-28 Pierre Terrier , Mihai-Cosmin Marinica , Manuel Athènes

Active matter represents a broad class of systems that evolve far from equilibrium due to the local injection of energy. Like their passive analogues, transformations between distinct metastable states in active matter proceed through rare…

统计力学 · 物理学 2022-01-17 Avishek Das , Benjamin Kuznets-Speck , David T. Limmer

We present three algorithms for calculating rate constants and sampling transition paths for rare events in simulations with stochastic dynamics. The methods do not require a priori knowledge of the phase space density and are suitable for…

软凝聚态物质 · 物理学 2009-11-11 Rosalind J. Allen , Daan Frenkel , Pieter Rein ten Wolde

Spontaneous structural rearrangements play a central role in the organization and function of complex biomolecular systems. In principle, physics-based computer simulations like Molecular Dynamics (MD) enable us to investigate these…

量子物理 · 物理学 2026-03-19 Danial Ghamari , Philipp Hauke , Roberto Covino , Pietro Faccioli

The dynamics of a one-dimensional stochastic system of classical particles consisting of asymmetric death and branching processes is studied. The dynamical activity, defined as the number of configuration changes in a dynamical trajectory,…

统计力学 · 物理学 2015-06-22 Pegah Torkaman , Farhad H. Jafarpour

The dynamics of complex systems often involve thermally activated barrier crossing events that allow these systems to move from one basin of attraction on the high dimensional energy surface to another. Such events are ubiquitous, but…

材料科学 · 物理学 2015-05-30 Amit Samanta , Weinan E

In many dynamical systems there is a large separation of time scales between typical events and "rare" events which can be the cases of interest. Rare-event rates are quite difficult to compute numerically, but they are of considerable…

统计力学 · 物理学 2015-05-19 David A. Adams , Leonard M. Sander , Robert M. Ziff

Many turbulent flows undergo drastic and abrupt configuration changes with huge impacts. As a paradigmatic example we study the multistability of jet dynamics in a barotropic beta plane model of atmosphere dynamics. It is considered as the…

统计力学 · 物理学 2019-02-27 Freddy Bouchet , Joran Rolland , Eric Simonnet

We consider the problem of probabilistic quantification of dynamical systems that have heavy-tailed characteristics. These heavy-tailed features are associated with rare transient responses due to the occurrence of internal instabilities.…

计算物理 · 物理学 2017-06-02 Mustafa A. Mohamad , Will Cousins , Themistoklis P. Sapsis

The prediction and control of rare events is an important task in disciplines that range from physics and biology, to economics and social science. The Big Jump principle deals with a peculiar aspect of the mechanism that drives rare…

统计力学 · 物理学 2020-02-27 Alessandro Vezzani , Eli Barkai , Raffaella Burioni

This article reviews the concepts and methods of variational path sampling. These methods allow computational studies of rare events in systems driven arbitrarily far from equilibrium. Based upon a statistical mechanics of trajectory space…

化学物理 · 物理学 2025-02-05 Aditya N. Singh , Avishek Das , David T. Limmer

Rare event sampling in dynamical systems is a fundamental problem arising in the natural sciences, which poses significant computational challenges due to an exponentially large space of trajectories. For settings where the dynamical system…

We study rare events in systems of diffusive fields driven out of equilibrium by the boundaries. We present a numerical technique and use it to calculate the probabilities of rare events in one and two dimensions. Using this technique, we…

统计力学 · 物理学 2015-09-10 Guy Bunin , Yariv Kafri , Daniel Podolsky

Dynamic facilitation theory assumes short-ranged dynamic constraints to be the essential feature of supercooled liquids and draws much of its conclusions from the study of kinetically constrained models. While deceptively simple, these…

材料科学 · 物理学 2012-06-12 Thomas Speck , David Chandler

Extreme weather events epitomize high cost: to society through their physical impacts, and to computer servers that simulate them to assess risk and advance physical understanding. It costs hundreds of simulation years to sample a few…

大气与海洋物理 · 物理学 2026-04-14 Justin Finkel , Paul A. O'Gorman

Stochastic dynamical systems allow modelling of transitions induced by disturbances, in particular from an attracting equilibrium and crossing the stable manifold of a saddle. In the small-noise limit, the probability of such transitions is…

统计力学 · 物理学 2025-09-05 Jiayao Shao , Tobias Grafke , Robert S. MacKay

In this paper we address the use of rare event computation techniques to estimate small over-threshold probabilities of observables in determin-istic dynamical systems. We demonstrate that the genealogical particle analysis algorithms can…

统计力学 · 物理学 2016-09-21 Jeroen Wouters , Freddy Bouchet
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