Tristan Bereau, Handbook of Materials Modeling (2018)

Short review on data-driven methods in soft-matter simulations

As in many other scientific fields, data-driven methods are rapidly impacting multiscale modeling. This chapter will illustrate some of the many ways advanced statistical models and a data-centric perspective help augmenting computer simulations in soft matter. A specific focus on force fields, sampling, and simulation analysis is presented, taking advantage of machine learning, high-throughput schemes, and Bayesian inference.