Preface.

As I noted in the preface to the second special issue, the papers that are included 'represent only a small selection, to some extent arbitrary, of the papers being published in the robust field of free energy simulations'. 25 August 2020 This is the third issue of I Molecular Simulations i devoted to Free Energy Simulations. The paper by Singh and Sharma deals with the adsorption of surfactant micelles at metal-water interfaces; that by Deng and Wang, with -sheet peptide self-assembly morphology; that by Walker et al., with the binding mechanism of ATP:Mg SP 2+ sp and ADP:Mg SP 2+ sp ; and that by Du et al. with compression-induced solid-solid transitions in colloids. [Extracted from the article]