Particle swarm optimization in the realm of chemistry: from theory to applications

Abstract

In this tutorial review, we introduce the reader to one of the most cited stochastic global optimization methods in chemistry, namely, particle swarm optimization (PSO). Beginning with a detailed description of the basic PSO algorithm, we explore how the algorithm has evolved over time to address increasingly complex chemical problems. The importance of the different aspects of the algorithm, its possible modifications and variants, and hybrid swarm intelligence techniques are presented as we navigate through various chemical applications of PSO reported in current literature. Overall, this review is intended to equip novices with a fundamental understanding of the PSO algorithm to intelligently approach any chemistry-based optimization problem they desire to explore using PSO.