Aqueous interfaces computer simulation methods

In addition to various analytic or semi-analytic methods, which are based on the theory of the liquid state and which are not the subject of this chapter, almost the entire toolbox of molecular computer simulation methods has been applied to the theoretical study of aqueous interfaces. They have usually been adapted and modified from schemes developed in a different context. 

While these problems, starting from the many-body Schrodinger equation, and ranging to pattern formation in driven complex fluids and chemical reactions at the biomolecule-membrane interface in aqueous solution, clearly are not yet solved and will remain at the forefront of challenges for many years to come, it must be emphasized that steady and important progress towards reaching these goals can be anticipated. Thus, we can expect that the role of computer simulation as the central and basic methodic approach of condensed matter theory will become even much more important in the future. 

The simulation of condensed phase systems by statistical mechanical methods has become a major research area in recent years. Of course, much of this work has been directed toward biologically relevant systems. The contributions in this section of ECC tend toward theory as much as computation and include the articles by Rob Coal son Poisson-Boltzmann Type Equations Numerical Methods), Peter Cummings Classical Dynamics of Nonequilibrium Processes in Fluids), a second article by Cummings Supercritical Water and Aqueous Solutions Molecular Simulation), Brian Laird Interfaces Liquid-Solid), Chi Mak Condensed-... 

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