“…In fact, a detailed structural model and a microscopic understanding of these systems are important to explain their physical and chemical properties, which requires detailed information about the interactions of the ions with micelles and solvent as well as the equilibrium structures and fluctuations (dynamics) of the micelle–ion systems, in addition to many-body effects. The properties of these systems have been probed by several experimental techniques, such as NMR, − radiation scattering, − zeta-potential, , neutron diffraction, , electrophoresis, , vibrational, , and time-resolved fluorescence spectroscopies. , Even with this wide variety of experimental methods used to probe micelle–ion systems, it is still very difficult to obtain detailed structural data and information about surface phenomena at the molecular level. To this end, molecular simulations have become an important and efficient tool to describe the structure, fluctuation, and dynamics of micelles. − Molecular dynamics (MD) methods using atomistic or coarse-grained potentials are the most commonly used approaches − because they provide results (structures, distributions, diffusion, viscosity, etc.)…”