Modern Methods for Multidimensional Dynamics Computations in Chemistry , Donald L. Thompson, (Ed). 101-142 (1998)

Molecular dynamics methods for studying liquid interfacial phenomena

Ilan Benjamin

Department of Chemistry, University of California, Santa Cruz, CA 95064.

Molecular dynamics computer simulation techniques for studying the structure and dynamics at liquid interfaces are described. The neat liquid/vapor, liquid/liquid and liquid/solid systems, as well as solvation and chemical reactions at these interfacial regions are considered. The focus is on methodology that is unique to the interfacial systems.