Selective-pivot sampling of radial distribution functions in asymmetric liquid mixtures

TL;DR

This paper introduces a Monte Carlo algorithm for efficiently sampling radial distribution functions and effective interactions in asymmetric liquid mixtures, validated against analytical models and applicable to various interaction potentials.

Contribution

The paper presents a novel Monte Carlo sampling method specifically designed for asymmetric liquid mixtures, improving efficiency and accuracy over existing techniques.

Findings

Efficient sampling of radial distribution functions demonstrated

Algorithm accurately yields contact values for hard-sphere interactions

Validated against analytical approximations and applicable to general interactions

Abstract

We present a Monte Carlo algorithm for selectively sampling radial distribution functions and effective interaction potentials in asymmetric liquid mixtures. We demonstrate its efficiency for hard-sphere mixtures, and for model systems with more general interactions, and compare our simulations with several analytical approximations. For interaction potentials containing a hard-sphere contribution, the algorithm yields the contact value of the radial distribution function.