This CAREER award is made in the Office of Special Projects in support of the research and teaching activities of Dr. David Kanis at Chicago State University. The research will focus on two main objectives. First, methods will be developed for the calculation of the third-order response for nonlinear optical materials. Algorithms based on the Fenske-Hall model Hamiltonian will be developed and compared to the ZINDO methodology for computed third-order responses. These calculations are expected to uncover generalities governing chromophore design and identify specific molecular structures for synthesis and characterization. The second element of the research will focus on the use of neural networked based artificial intelligence to screen the ZINDO-generated database for structure-activity relationships between nonlinear optical response and electronic and molecular structure. Through the CAREER plan, undergraduates will be equipped and encouraged to attend graduate school by involving them in challenging research projects, implementing curricular reforms and encouraging student participation at scientific meetings. A Physical Science lecture class will be transformed into a participatory, discovery-based course for nonscience majors highlighting concepts rather than procedures. Outreach activities toward the African-American community will bring outstanding pre-college students and high school teachers to the university to participate in laboratory studies. A `Science in the Hood` program will provide outreach to a segment of the urban population not typically served by science education programs.
