Molecular simulation has become increasingly common as a means to study properties of pure supercritical fluids (SCFs) as well as their solutions. With the large number of studies, and wide range of properties reported, it is advantageous to summarize the current approaches. To this end, both Monte Carlo and molecular dynamics molecular simulation methods are briefly introduced together with important points of molecular models. Subsequently, water and carbon dioxide SCFs are focused on both neat and in mixtures, and an overview of reported properties, including select descriptions of the methods used to determine them, is given. This work serves as a starting point to understanding and carrying out molecular simulations on SCFs. (C) 2015 Elsevier B.V. All rights reserved.