The main goal of the Center is to establish a strong research and educational program in computational chemistry. The faculty members involved in this Center conduct collaborative research on the development of efficient computational methodologies and their application to the study of structures and properties of molecules ranging from model systems to large biomolecules. Three activities, focusing on applications of high-performance computational techniques are being carried out in the Center. A major activity of the Center is focused on graduate students entering the recently approve Ph.D. program in chemistry and on lectures, workshops, seminar series, editing a book series and international scientific journals in the area of computational chemistry and summer research programs for undergraduate students.
Training includes mentoring of undergraduate and graduate students and postdoctoral fellows.