相关论文: A general method to describe intersystem crossing …

The conventional no-slip boundary condition leads to a non-integrable stress singularity at a moving contact line. This makes numerical simulations challenging, especially when capillary effects are essential for the dynamics of the flow.…

Monte Carlo simulation is used to study the dynamical crossover from single file diffusion to normal diffusion in fluids confined to narrow channels. We show that the long time diffusion coefficients for a series of systems involving hard…

Collective motion over increasing length scales is a signature of the vitrification process of liquids. We demonstrate the emergence of distinct static and dynamic length scales probed near the free surface in fully equilibrated…

We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…

Orbit spin coupling is proposed as an alternative to planetary tidal models for the excitation of solar variability as a function of time. Momentum sourced from the orbital angular momenta of solar system bodies is deposited within the…

We consider the problem of stochastic flow of multiple particles traveling on a closed loop, with a constraint that particles move without passing. We use a Markov chain description that reduces the problem to a generalized random walk on a…

An improved real-time quantum Monte Carlo procedure is presented and applied to describe the electronic transfer dynamics along molecular chains. The model consists of discrete electronic sites coupled to a thermal environment which is…

In many oscillatory or excitable systems, dynamical patterns emerge which are stationary or periodic up in a moving frame of reference. Examples include traveling waves or spiral waves in chemical systems or cardiac tissue. We present a…

We present a method to sample reactive pathways via biased molecular dynamics simulations in trajectory space. We show that the use of enhanced sampling techniques enables unconstrained exploration of multiple reaction routes. Time…

Stellar magnetic activity is a source of noise in the study of the transits of extrasolar planets. It induces flux variations which affect significantly the transit depth determination and the derivations of planetary and stellar…

New ab-initio surface hopping simulations of the excited state dynamics of CS$_2$ including spin-orbit coupling are compared to new experimental measurements using a multiphoton ionisation probe in a photoelectron spectroscopy experiment.…

An introductory exposition of Chandrasekhar's gravitational dynamical friction, appropriate for an undergraduate class in mec hanics, is presented. This friction results when a massive particle moving through a ``sea'' of much lighter star…

Chemical relaxation phenomena, including photochemistry and electron transfer processes, form a vigorous area of research in which nonadiabatic dynamics plays a fundamental role. Here, we show that for nonadiabatic dynamics with two…

We propose a surface hopping Gaussian beam method to numerically solve a class of high frequency linear transport systems in high spatial dimensions, based on asymptotic analysis. The stochastic surface hopping is combined with Gaussian…

We study the transient dynamics in a two-dimensional system of interacting Dirac fermions subject to a quenched drive with circularly polarized light. In the absence of interactions, the drive opens a gap at the Dirac point in the…

We introduce and analyse the kinetic random-field nonreciprocal Ising model, which incorporates bimodal (double-delta) diffusive disorder along with pairwise nonreciprocal interactions between two different species. Using mean-field and…

For a wide variety of problems, creating detailed continuous models of (continuous) physical systems is, at the very least, impractical. Hybrid models can abstract away short transient behaviour (thus introducing discontinuities) in order…

We study the dynamics of a tagged particle in a glassy system under shear. The recently developed integration through transients approach based on mode coupling theory, is continued to arrive at the equations for the tagged particle…

We introduce a model of interacting Random Walk, whose hopping amplitude depends on the number of walkers/particles on the link. The mesoscopic counterpart of such a microscopic dynamics is a diffusing system whose diffusivity depends on…

Observations of stellar surfaces - except for the Sun - are hampered by their tiny angular extent, while observed spectral lines are smeared by averaging over the stellar surface, and by stellar rotation. Exoplanet transits can be used to…