Related papers: String Method for the Study of Rare Events
In addition to translational and rotational symmetries, clusters of identical interacting particles possess permutational symmetry. Coarse-grained models for such systems are instrumental in identifying metastable states, providing an…
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 properties of the reactive trajectories by which…
We present an efficient method to compute transition rates between states for a two-state system. The method utilizes the equivalence between steady-state flux and mean first passage rate for such systems. More specifically, the procedure…
Data-carving methods perform selective inference by conditioning the distribution of data on the observed selection event. However, existing data-carving approaches typically require an analytically tractable characterization of the…
We use a recently proposed class of tensor-network states to study phase transitions in string-net models. These states encode the genuine features of the string-net condensate such as, e.g., a nontrivial perimeter law for Wilson loops…
The time evolution of many physical, chemical, and biological systems can be modelled by stochastic transitions between the minima of the potential energy surface describing the system of interest. We show that in cases where there are two…
A numerical simulation method, based on Dang et al.'s self-consistent theory of large-amplitude collective motion, for rare transition events is presented. The method provides a one-dimensional pathway without knowledge of the final…
We address the problem of constructing accurate mathematical models of the dynamics of complex systems projected on a collective variable. To this aim we introduce a conceptually simple yet effective algorithm for estimating the parameters…
A vast array of phenomena, ranging from chemical reactions to phase transformations, are analysed in terms of a free energy surface defined with respect to a single or multiple order parameters. Enhanced sampling methods are typically used,…
Time scales associated with activated transitions between glassy metastable states of a free energy functional appropriate for a dense hard sphere system are calculated by using a new Monte Carlo method for the local density variables. We…
Despite extensive studies on either smooth granular-fluid flow or the solid-like deformation at the slow limit, the change between these two extremes remains largely unexplored. By systematically investigating the fluctuations of tightly…
Various properties of open strings in external constant E.M. fields are reviewed. In particular, the charged-particle pair production rate in an external electric field is evaluated, and shown to reduce to Schwinger's formula in the limit…
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…
Embedded random matrix ensembles are generic models for describing statistical properties of finite isolated interacting quantum many-particle systems. For the simplest spinless systems, with say $m$ particles in $N$ single particle states…
In this paper we analyze a Rutherford type experiment where light probes are inelastically scattered by an ensemble of excited closed strings, and use the corresponding cross section to extract density-density correlators between different…
The efficiency of atomic simulations of materials and molecules can rapidly deteriorate when large free energy barriers exist between local minima. We propose smooth basin classification, a universal method to define reaction coordinates…
The present work is essentially concerned with the development of statistical theory for the low temperature dislocation glide in concentrated solid solutions where atom-sized obstacles impede plastic flow. In connection with such a…
We investigate the kinetics and the free energy landscape of the crystallization of hard spheres from a supersaturated metastable liquid though direct simulations and forward flux sampling. In this first paper, we describe and test two…
Simulating transition dynamics between metastable states is a fundamental challenge in dynamical systems and stochastic processes with wide real-world applications in understanding protein folding, chemical reactions and neural activities.…
In this paper we present a method for locating transition states and higher-order saddles on potential energy surfaces using double-ended classical trajectories. We then apply this method to 7- and 8-atom Lennard-Jones clusters, finding one…