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We study stochastic processes in which the trajectories are constrained so that the process realises a large deviation of the unconstrained process. In particular we consider stochastic bridges and the question of inequivalence of path ensembles between the microcanonical ensemble, in which the end points of the trajectory are constrained, and the canonical or s ensemble in which a bias or tilt is introduced into the process. We show how ensemble inequivalence can be manifested by the phenomenon of temporal condensation in which the large deviation is realised in a vanishing fraction of the duration (for long durations). For diffusion processes we find that condensation happens whenever the process is subject to a confining potential, such as for the Ornstein-Uhlenbeck process, but not in the borderline case of dry friction in which there is partial ensemble equivalence. We also discuss continuous-space, discrete-time random walks for which in the case of a heavy tailed step-size distribution it is known that the large deviation may be achieved in a single step of the walk. Finally we consider possible effects of several constraints on the process and in particular give an alternative explanation of the interaction-driven condensation in terms of constrained Brownian excursions.
We present a detailed account of a first-order localization transition in the Discrete Nonlinear Schrodinger Equation, where the localized phase is associated to the high energy region in parameter space. We show that, due to ensemble inequivalence,
According to the nonequilibrium work relations, path-ensembles generated by irreversible processes in which a system is driven out of equilibrium according to a predetermined protocol may be used to compute equilibrium free energy differences and exp
An approach for simulating bionanosystems, such as viruses and ribosomes, is presented. This calibration-free approach is based on an all-atom description for bionanosystems, a universal interatomic force field, and a multiscale perspective. The supr
We study the dynamics of covariances in a chain of harmonic oscillators with conservative noise in contact with two stochastic Langevin heat baths. The noise amounts to random collisions between nearest-neighbour oscillators that exchange their momen
The sensitivity of molecular dynamics on changes in the potential energy function plays an important role in understanding the dynamics and function of complex molecules.We present a method to obtain path ensemble averages of a perturbed dynamics fro