https://doi.org/10.1140/epje/s10189-022-00180-8
Tips and Tricks - Soft Matter
Efficient event-driven simulations of hard spheres
Laboratoire de Physique des Solides, CNRS, Université Paris-Saclay, 91405, Orsay, France
Received:
5
January
2022
Accepted:
24
February
2022
Published online:
10
March
2022
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.
The original online version of this article was revised to correct equation 2.
A correction to this article is available online at https://doi.org/10.1140/epje/s10189-022-00187-1.
Copyright comment corrected publication 2022
© The Author(s), under exclusive licence to EDP Sciences, SIF and Springer-Verlag GmbH Germany, part of Springer Nature 2022. corrected publication 2022
