相关论文: Sum of exit times in a series of two metastable st…
An effect generated by the nonexponential behavior of the survival amplitude of an unstable state in the long time region is considered. We find that the instantaneous energy of the unstable state for a large class of models of unstable…
Metadynamics is a commonly used and successful enhanced sampling method. By the introduction of a history dependent bias which depends on a restricted number of collective variables(CVs) it can explore complex free energy surfaces…
In this paper, we reveal a general relationship between model simplification and irreversibility based on the model of continuous-time Markov chains with time-scale separation. According to the topological structure of the fast process, we…
The gain of free energy upon unmixing is determined via application of Markov state modeling (MSM), using an Ising model with a fixed number of up- and down-spins. MSM yields reasonable estimates of the free energies. However, a closer look…
The Lindblad equation describes the time evolution of a density matrix of a quantum mechanical system. Stationary solutions are obtained by time-averaging the solution, which will in general depend on the initial state. We provide an…
Computational modeling of assembly is challenging for many systems because their timescales vastly exceed those accessible to simulations. This article describes the MultiMSM, which is a general framework that uses Markov state models…
Beyond the quantum Markov approximation and the weak coupling limit, we present a general theory to calculate the geometric phase for open systems with and without conserved energy. As an example, the geometric phase for a two-level system…
We discuss the notion of nonequilibrium chemical potential in gases of non-interacting active particles filling two compartments separated by a potential energy barrier. Different types of active particles are considered: run-and-tumble…
Metastable states appear as long-lived intermediate states in various natural transport phenomena which are governed by energy landscapes. As such, these intermediate metastable states dominate the system's dynamics at coarse grained times.…
Asymptotic properties of Markov Processes, such as steady state probabilities or hazard rate for absorbing states can be efficiently calculated by means of linear algebra even for large-scale problems. This paper discusses the methods for…
Virtual states are a central concept in quantum mechanics. By definition, the probability of finding a quantum system in a virtual state should be vanishingly small at all times. In contrast to this notion, we report a phenomenon occurring…
The objective of this work is to study continuous-time Markov decision processes on a general Borel state space with both impulsive and continuous controls for the infinite-time horizon discounted cost. The continuous-time controlled…
Classical coupling constructions arrange for copies of the \emph{same} Markov process started at two \emph{different} initial states to become equal as soon as possible. In this paper, we consider an alternative coupling framework in which…
In this note we derive the exact probability that a specific state in a two-state Markov chain is visited exactly $k$ times after $N$ transitions. We provide a closed-form solution for $\mathbb{P}(N_l = k \mid N)$, considering initial state…
The structure of the initial system-environment state is fundamental to determining the nature and characteristics of the evolution of such an open quantum system. The usual assumption is to consider that the initial system-environment…
For a spectrally positive strictly stable process with index in (1,2), the paper obtains i) the density of the time when the process makes first exit from an interval by hitting the interval's lower end point before jumping over its upper…
The method of 'coupling from the past' permits exact sampling from the invariant distribution of a Markov chain on a finite state space. The coupling is successful whenever the stochastic dynamics are such that there is coalescence of all…
We consider a simple analytically tractable model of metastability and ageing. In this model, a particle can jump left or right by two steps to an unoccupied site, but only if the the site in between is occupied. We show that the model is…
The relaxation and complex magnetic susceptibility treatments of a spin-3/2 Blume-Capel model with quenched random crystal field on a two dimensional square lattice are investigated by a method combining the statistical equilibrium theory…
Many enhanced sampling techniques rely on the identification of a number of collective variables that describe all the slow modes of the system. By constructing a bias potential in this reduced space one is then able to sample efficiently…