Molecular Mechanical Design and Synthesis of Processible Conducting Polymers

The power of molecular mechanics will be applied to the complex structures of conducting polymer composites. Using sophisticated computer aided molecular design (CAMD) programs, a series of complex composites will be simulated, with the goal of optimizing their electronic and processing properties. As optimized conducting polymer structures are identified, they will be synthesized and characterized in the laboratory, and their experimental properties compared with those of theory. This overall approach is designed to minimize the number of laboratory experiments that must be run, which are expensive and can be hazardous.