2010/09/06 by Cristiano De Michele · 7 citations
Mathematics · Physics and Astronomy · #Algorithm #Computational science #Computer science #Event (particle physics) #Generalization #Markov Chains and Monte Carlo Methods #Mathematics #Parallel computing #Physics #Scientific Research and Discoveries #Speedup #Statistical physics #Theoretical and Computational Physics #Theoretical computer science #cond-mat.soft #physics.comp-ph
paper · pdf · doi:10.1016/j.cpc.2010.11.012
published in Computer Physics Communications 182(9), 1846-1850 (Elsevier BV) · Submitted to Comp. Phys. Comm. Special Issue for CCP2010
arxiv created 2010/09/06 · openalex publication_date 2010/11/20 · arxiv updated 2015/05/19 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model has been indeed widely used both for computational and theoretical description of physical systems. Recently further developments of computational techniques allow simulations of hard rigid objects of generic shape. In present paper we will present some optimizations for event-driven simulations that offered significant speedup over previous methods. In particular we will describe a generalization of well known linked list method and an improvement on nearest neighbor lists method recently proposed by us.