In 1953, Metropolis et al. 1 introduced an ingenious stochastic method for sampling points in
a multidimensional space, according to a prescribed probability distribution defined on that …

The problem of flickering trajectories in standard kinetic Monte Carlo (kMC) simulations
prohibits sampling of the transition path ensembles (TPEs) on Markovian networks …

An out-of-equilibrium simulation method for tracking the time evolution of glassy systems (or
any other systems that can be described by hop** dynamics over a network of discrete …

The local and cooperative dynamics of atactic PS (a‐PS) were studied by broadband
dielectric relaxation spectroscopy (BDRS) and attenuated total reflectance Fourier transform …

As the glass transition is approached from the high temperature side, viewed as a liquid, the
properties of the ever more viscous supercooled liquid are continuous functions of …

The estimation of the chemical potential is crucial in a variety of applications involving phase
equilibrium. The heart of such calculation lies in the evaluation of a free-energy difference …

In this study, we present a novel approach for modeling the dynamics of stochastic
processes. The fundamental concept involves constructing a stochastic Markov chain …

In this work we develop, test, and implement a methodology that is able to perform, in an
automated manner,“lum**” of a high-dimensional, discrete dynamical system onto a lower …

We present a new method for solving the master equation for a system evolving on a
spatially periodic network of states. The network contains 2 ν images of a “unit cell” of n …

In this work, we propose the evaluation of the free energy in molecular systems, in a “single”
step, by “deleting” all the molecules in the system. The approach can be considered as the …