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        Our group engages in theoretical investigations to explain and predict the properties of a broad spectrum of fascinating chemical systems. We apply classical, statistical and quantum mechanical methods to interesting problems in Surface, Materials and Atmospheric Chemistry. In addition, one major thrust of our research is strongly involved in advancing the state of the art of Basic Theory and the Methodology of the methods we employ. We also design educational applets so that undergraduate chemistry students can be exposed to modern modeling techniques.

The Rappe group uses theory and quantum-mechanical modeling to study the relationships between bulk phase transitions, material interfaces, and surface chemistry. The group develops new methods for accurate and efficient electronic structure calculations. They design new materials for solar energy harvesting and conversion to chemical fuels. They propose nanocomposites of functional materials to create new catalytic materials. The group also investigates the properties of ferroelectric materials, in bulk, nanoscale films, nanowires, and nanoparticles for functional applications ranging from non-volatile RAM to SONAR detection and sensing.

The group is currently interested in hiring a postdoctoral fellow.

Undergraduate researchers are always welcome!

If you have any questions or comments, please contact Andrew Rappe at:

Andrew M. Rappe
Department of Chemistry
University of Pennsylvania
231 South 34th Street
Philadelphia, PA 19104-6323,
U.S.A.
Phone: (215) 898-8313
Fax: (215) 573-2112
E-mail: rappe@sas.upenn.edu

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