Computer simulation techniques for food science and engineering: Simulating atomic scale and coarse-grained models

We describe computer simulation techniques that have been, or can be, used in Food Science and Engineering. We describe models which cannot be utilized without employing computer simulation but do not explicitly address models such as self consistent field approaches or DLVO theory. We describe techniques which either continue to play fundamental roles in computer simulation of soft matter and fluids, or newer developments which have shown increased use in the last decade. Here we outline the background to statistical mechanics followed by descriptions with selected examples of Molecular Dynamics, Coarse-Grained modeling, Monte Carlo techniques, Dissipative Particle Dynamics and Lattice–Boltzmann theory.