Efficient event-driven simulations of hard spheres
Abstract
Hard spheres are arguably one of the most fundamental model systems in soft matter physics, and hence a common topic of simulation studies. Event-driven simulation methods provide an efficient method for studying the phase behavior and dynamics of hard spheres under a wide range of different conditions. Here, we examine the impact of several optimization strategies for speeding up event-driven molecular dynamics of hard spheres, and present a light-weight simulation code that outperforms existing simulation codes over a large range of system sizes and packing fractions. The presented differences in simulation speed, typically a factor of five to ten, save significantly on both CPU time and energy consumption, and may be a crucial factor for studying slow processes such as crystal nucleation and glassy dynamics.
Cite
@article{arxiv.2201.01100,
title = {Efficient event-driven simulations of hard spheres},
author = {Frank Smallenburg},
journal= {arXiv preprint arXiv:2201.01100},
year = {2022}
}