Parallel implementation of three-dimensional molecular dynamic simulation for laser-cluster interaction

TL;DR

This paper presents a parallel 3D molecular dynamics simulation code for laser-cluster interactions, benchmarking its performance and capabilities, and providing an executable version for studying laser-cluster dynamics.

Contribution

It introduces a parallel implementation of a 3D molecular dynamics code specifically for laser-cluster interactions, including benchmarking and diagnostic tools.

Findings

Code performance scales with processor cores and macroparticles

Simulation results align with experimental data

Diagnostic tools enhance analysis of laser-cluster dynamics

Abstract

The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of the experiments reported in the literature. Scaling laws for the computational time is established by varying the number of processor cores and number of macroparticles used. The capabilities of the code are highlighted by implementing various diagnostic tools. To study the dynamics of the laser-cluster interactions, the executable version of the code is available from the author.