----------------------------------------------------------------- SEMINAR OF THE LABORATORY FOR COMPUTER DESIGN OF MATERIALS Institute for Computational Sciences and Informatics CSI 929 (http://science.gmu.edu/physics/) ----------------------------------------------------------------- FIRST-PRINCIPLES STUDIES OF THE STRUCTURAL PROPERTIES OF SOLID CUBANE Steven L. Richardson Department of Electrical Engineering and Materials Science Research Center, Howard University Recent advances in computationalmaterials science and theoretical condensed matter physics, coupled with the power and speed of modern supercomputers, have enabled scientists and engineers to design and study novel materials from a first-principles viewpoint. Such calculations are becoming increasingly useful in their abilty to both explain experimental propeties of materials, as well as predict novel properties. As an example of these methods, we will discuss some of our recent calculations on the properties of the energetic material, solid cubane. Monday , November 18 1996 5:00 pm Room 206, Science & Tech. I -----------------------------------------------------------------