Particle-based simulation: An algorithmic perspective

This article reviews some of the latest advances of the algorithmic aspects of particle-based methods for the simulation of both solid-state devices and biological systems. After a brief historical introduction, a discussion will be offered about the recent evolution of numerical methods used by both Full-Band Ensemble Monte Carlo (EMC) and Molecular Dynamics (MD) algorithms. A discussion of some relevant applications of both simulative approaches is accompanied by a critical analysis of the main limitations of the methods. Several needed improvements are discussed as well, and the potential of the algorithms for modeling systems of higher complexity.