相关论文: Transition states and entangled mass action law
Determining the kinetic bottlenecks that make transitions between metastable states difficult is key to understanding important physical problems like crystallization, chemical reactions, or protein folding. In all these phenomena, the…
The dynamics of molecules are governed by rare event transitions between long-lived (metastable) states. To explore these transitions efficiently, many enhanced sampling protocols have been introduced that involve using simulations with…
A two-offspring branching annihilating random walk model, with finite reaction rates, is studied in one-dimension. The model exhibits a transition from an active to an absorbing phase, expected to belong to the $DP2$ universality class…
Control strategies for dissipative preparation of target quantum states, both pure and mixed, and subspaces are obtained by switching between a set of available semigroup generators. We show that the class of problems of interest can be…
We apply the DDC formalism [proposed by Dalibard, Dupont-Roc and Cohen-Tannoudji] to study the average rate of change of energy of two identical two-level atoms interacting with the vacuum massless scalar field in synchronized motion along…
Equilibrium rate theories play a crucial role in understanding rare, reactive events. However, they are inapplicable to a range of irreversible processes in systems driven far from thermodynamic equilibrium like active and biological…
We propose a new quantum transition-state theory for calculating Fermi's golden-rule rates in complex multidimensional systems. This method is able to account for the nuclear quantum effects of delocalization, zero-point energy and…
We describe a universal transition mechanism characterizing the passage to an annealed behavior and to a regime where the fluctuations about this behavior are Gaussian, for the long time asymptotics of the empirical average of the expected…
Drastic change in dynamics and statistics in a chemical reaction system, induced by smallness in the molecule number, is reported. Through stochastic simulations for random catalytic reaction networks, transition to a novel state is…
We consider a system of two linear and linearly coupled oscillators with ideal impact constraints. Primary resonant energy exchange is investigated by analysis of the slow-flow using the action-angle (AA) formalism. Exact inversion of the…
Chemical reactions subjected to time-varying external forces cannot generally be described through a fixed bottleneck near the transition state barrier or dividing surface. A naive dividing surface attached to the instantaneous, but moving,…
In the experimental determination of the population transfer efficiency between discrete states of a coherently driven quantum system it is often inconvenient to measure the population of the target state. Instead, after the interaction…
We continue our study of the linear response of a nonequilibrium system. This Part II concentrates on models of open and driven inertial dynamics but the structure and the interpretation of the result remain unchanged: the response can be…
The evolution of a quantum system subject to measurements can be described by stochastic quantum trajectories of pure states. Instead, the ensemble average over trajectories is a mixed state evolving via a master equation. Both descriptions…
For a transition between two stable states, the committor is the probability that the dynamics leads to one stable state before the other. It can be estimated from trajectory data by minimizing an expression for the transition rate that…
We extend the energetic variational approach so it can be applied to a chemical reaction system with general mass action kinetics. Our approach starts with an energy-dissipation law. We show that the chemical equilibrium is determined by…
We study a one-dimensional Ising model with a magnetic field and show that tilting the field induces a transition to quantum chaos. We explore the stationary states of this Hamiltonian to show the intimate connection between entanglement…
We show how entangled steady states can be prepared by purely dissipative dynamics in a system coupled to a thermal environment. While entanglement is hindered by thermalization when the system and environment exchange a conserved quantity,…
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…
Spatially-distributed, nonequilibrium chemical systems described by a Markov chain model are considered. The evolution of such systems arises from a combination of local birth-death reactive events and random walks executed by the particles…