Interfacial water simulations general discussion

Molecular predictions of the properties of interfacial systems are now becoming possible as a result of rapid advances in liquid state chemical physics and computer technology. The objectives of this paper are 1) to review the general approaches and models used in Monte Carlo (MC) and molecular dynamics (MD) simulations of interfacial systems, 2) to describe and discuss results from selected simulation studies of interfacial water, and 3) to discuss the major limitations of these techniques and to offer suggestions for overcoming them. 

In simulating interfacial water, it is important to use a model for water-water interactions which yields accurate results in simulations of bulk water. Each of the models discussed here have obvious advantages and disadvantages. The CF model is generally more... 

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