Efficiency of rejection-free methods for dynamic Monte Carlo studies of off-lattice interacting particles

Abstract

We calculate the efficiency of a rejection-free dynamic Monte Carlo method for d-dimensional off-lattice homogeneous particles interacting through a repulsive power-law potential r(-p). Theoretically we find the algorithmic efficiency in the limit of low temperatures and/or high densities is asymptotically proportional to rho(p+2)/2T(-d/2) with the particle density rho and the temperature T. Dynamic Monte Carlo simulations are performed in one-, two-, and three-dimensional systems with different powers p, and the results agree with the theoretical predictions.

Rejection-free Monte Carlo sampling for general potentials

“…On an algorithmic level, there is some similarity with kinetic (or dynamic) MC [10] and n-fold way MC simulations [11,12]. In these methods there is a finite number of (classes of) moves modeled as Poisson processes.…”