Mark A. Ratner, Morrison Professor
Department of Chemistry
Northwestern University

E-mail: ratner@chem.northwestern.edu
Phone: 847-491-5652

AB, Harvard University
PhD, Northwestern University

Amanuensis, Arhus University, Denmark
Akademischer Rat, Technical University, Munich, Germany
Alfred P. Sloan Fellow

Research Areas
The Ratner group research involves both the development of theoretical methods and their application to chemical systems of interest. The general aim is mechanistic understanding of chemical processes, and they use a large variety of techniques (electronic structure calculations, model Hamiltonian parametrization, approximate quantum dynamics, Monte-Carlo and molecular dynamics simulation, higher-order algebraic techniques) to examine a number of related problems. Actual development of theoretical concepts centers on dynamical approximations to coupled-mode problems, including application to line shapes, classical/quantum dynamics, unimolecular and bimolecular kinetics and nucleation, and hydrogen bonds; and on transport models for motion in condensed phases, including dynamical percolation theory and conduction in polymeric and glassy solid electrolytes.

Electron transfer processes, especially intramolecular electron transfer and through-bond transfer processes, are a major focus of current research. The physical chemistry of condensed-phase molecular materials, especially electroactive ones, has become an important topic in the group, with current research centering on the dephasing dynamics, relaxation and conduction pro cesses, molecular electronics, and the nature of dynamics dominated by the glass transition.

The theoretical chemistry of biological systems is becoming a major focus. The group is involved in studies of proton transfer and electron transfer in enzymes and nucelic acids, as well as the physical chemistry of proteins. The dynamics and chemistry of wear and friction is a new field of focus.

Due to the unusual closeness of department members, active collaborations, which often involve joint supervision of graduate students, are in progress with Professors Marks, Ellis, Hoffman, Hupp, Jarrold, Nguyen, Pople, Schatz, Shriver, Van Duyne, and Wasielewski and with faculty in physics and materials science. International collaborations (in Delft, Odense, Caracas, Jerusalem, and Tel Aviv) are an important focus of our group. More specialized interests include molecular dynamics simulation, molecu lar device applications, conducting polymers, and advanced batteries.

Related Publications
"Conductance of Molecular Wires: Influence of Molecule-Electrode Binding" [with S. N. Yaliraki and M. Kemp], J. Am. Chem. Soc. 121:3428-34 (1999).

"Photoexcited Electron Transfer: Short-Time Dynamics and Turnover Control by Dephasing, Relaxation, and Mixing" [with G. Ashkanazi and R. Kosloff], J. Am. Chem. Soc. 121:3386-95 (1999).

"Thermal Unfolding of Unsolvated Cytochrome c: Experiment and Molecular Dynamics Simulations" [with Y. Mao, J. Woenckhaus, J. Kolafa, and M. F. Jarrold], J. Am. Chem. Soc. 121:2712-21 (1999).

"Glass Formation and Local Disorder: Amorphization in Planar Clusters" [with E. Sim and A. Z. Patashinski], J. Chem. Phys. 109:7901-6 (1998).

"Molecular-Wire Behaviour in p-Phenylenevinylene Oligomers" [with W. B. Davis, W. A. Svec, and M. R. Wasielewski], Nature 396:60-63 (1998).