We propose a Monte Carlo (MC) sampling algorithm to simulate systems of particles interacting via very short-ranged discontinuous potentials. Such models are often used to describe protein solutions or colloidal suspensions. Most normal MC algorithms fail for such systems because, at low temperatures, they tend to get trapped in local potential-energy local minima due to the short range of the pair potential. To circumvent this problem, we have devised a scheme that changes the construction of trial moves in such a way that the potential-energy difference between initial and final states drops out of the acceptance rule for the Monte Carlo trial moves. This approach allows us to simulate systems with short-ranged attraction under conditions that were unreachable up to now.

J. Chem. Phys.

Boulougouris, G. C., & Frenkel, D. (2005). Novel Monte Carlo scheme for systems with short-ranged interactions. J. Chem. Phys., 122(Article number: 244106), 1–8. doi:10.1063/1.1931652