An attractive feature of the application of Molecular Dynamics (MD) simulation to the liquid-vapor interface in two-phase flow is that the method, well suited for the small length-scale region which may be size-affected, can be applied in multi-scale modeling together with continuum approach for the rest of the domain. Various studies have been reported in literature where the method has been utilized to analyze the interfacial regions in two-phase flow systems. In this article, the major investigations involving Molecular Dynamics analysis applied to interfacial phenomena in two phase flow and heat transfer systems are reviewed, with a focus on the thermodynamic, fluid dynamic and structural properties of the liquid-vapor interface. Discussions on the nature and premises of the reported work and a compilation of the salient features and major results are presented.