Related papers: The K\"arger vs bi-exponential model: theoretical …
We consider the classical problem of particle diffusion in $d$-dimensional radially-symmetric systems with absorbing boundaries. A key quantity to characterise such diffusive transport is the evolution of the proportion of particles…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
The goal of this document is describe the multiphase transfer processes describing the bubble dynamics of a water electrolyzer. The motivation is to describe the dilute-dispersed mass transfer within and Alkaline Water Electrolyzer. Special…
Two important enhanced sampling algorithms, simulated (ST) and parallel (PT) tempering, are commonly used when ergodic simulations may be hard to achieve, e.g, due to a phase space separated by large free-energy barriers. This is so for…
We present Quantum Monte Carlo simulations of the soft-core bosonic Hubbard model with a ring exchange term K. For values of K which exceed roughly half the on-site repulsion U, the density is a non-monotonic function of the chemical…
We propose a kinetic Ising model to study phase separation driven by surface diffusion. This model is referred to as "Model S", and consists of the usual Kawasaki spin-exchange kinetics ("Model B") in conjunction with a kinetic constraint.…
We consider the Kob-Andersen model, a cooperative lattice gas with kinetic constraints which has been widely analyzed in the physics literature in connection with the study of the liquid/glass transition. We consider the model in a finite…
A dynamical model for S-- and P--wave correlated $2 \pi$ (and $K \bar K$) exchange between a kaon and a nucleon is presented, starting from corresponding $N \bar N \rightarrow K \bar K$ amplitudes in the pseudophysical region, which have…
The East model has a dynamical phase transition between an active (fluid) and inactive (glass) state. We show that this phase transition generalizes to "softened" systems where constraint violations are allowed with small but finite…
Kinetically constrained models (KCM) are systems with trivial thermodynamics but often complex dynamical behavior due to constraints on the accessible paths followed by the system. Exploring these properties, the Kob-Andersen (KA) model was…
We review several parallel tempering schemes and examine their main ingredients for accuracy and efficiency. The present study covers two selection methods of temperatures and several choices for the exchange of replicas, including a recent…
The presence of two photon exchange in $ep$ elastic scattering and in the crossed processes ($\bar p +p\leftrightarrow \ell^+ +\ell^-$, $\ell=e$ or $\mu$) is discussed in terms of three complex amplitudes which are functions of two…
Bipartite Experiments are randomized experiments where the treatment is applied to a set of units (randomization units) that is different from the units of analysis, and randomization units and analysis units are connected through a…
The interplay between dissipation and internal interactions in quantum many-body systems gives rise to a wealth of novel phenomena. Here we investigate spin-1/2 chains with uniform local couplings to a Markovian environment using the…
We report a quantitative, analytical and numerical, comparison between two models of the interaction of a non-relativistic quantum particle with a thin time-dependent absorbing barrier. The first model represents the barrier by a set of…
The spin-1 Ising (BEG) model with the nearest-neighbour bilinear and biquadratic interactions and single-ion anisotropy is simulated on a cellular automaton which improved from the Creutz cellular automaton(CCA) for a simple cubic lattice.…
The necessity for accurate and computationally efficient representations of water in atomistic simulations that can span biologically relevant timescales has born the necessity of coarse-grained (CG) modeling. Despite numerous advances, CG…
Active particles often swim in confined environments. The transport mechanisms, especially the global one as reflected by the Taylor dispersion model, are of great practical interest to various applications. For active dispersion process in…
Inspired by applications in sports where the skill of players or teams competing against each other varies over time, we propose a probabilistic model of pairwise-comparison outcomes that can capture a wide range of time dynamics. We…
We study various models of independent particles hopping between energy `traps' with a density of energy barriers $\rho(E)$, on a $d$ dimensional lattice or on a fully connected lattice. If $\rho(E)$ decays exponentially, a true dynamical…