Ilan Benjamin is interested in the theoretical study of the microscopic dynamics of chemical reactions in the condensed phase. This includes chemical reactions in solution, reactions on surfaces (catalysis), and enzymatic reactions. The major goal is to understand the dynamic structural and energetic changes in the medium that help drive the chemical reaction, as well as the way in which the medium changes the intrinsic chemical forces from their bare gas-phase values.

Benjamin uses a variety of computer simulation methods and powerful multiprocessing workstations to understand microscopic dynamics. Molecular dynamics simulation is used to reveal time-dependent motion and energy flow in the solvent and the reagents for chemical reactions in solution, and Monte Carlo simulation is used to understand equilibrium properties of the system. An important aspect of the approach is a close tie with experimental results, in particular, time-resolved spectroscopy and kinetic measurements.

During the last few years, Benjamin's research has been focused on the subject of chemical dynamics at fluid interfaces, including liquid/vapor, liquid/liquid and liquid/solid interfaces. This research has been motivated by the fundamental and practical importance of these systems, by a wealth of experimental data generated using new techniques and by the fact that very little has been done in this area to facilitate a theoretical understanding at the molecular level.

An important part of Benjamin's research effort is directed toward the development of new simulation techniques. In particular, there is a need for improved methods for studying electronic transitions in solution and in surface reactions, and more efficient techniques for the simulation of complex macromolecular systems. He is working on development of simple analytical models that capture the essence and important physical properties of the system, in addition to providing a simple language to describe the complex data (and graphic images) that the computer can provide.

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last updated November 3, 1997