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Title: Materials Design and Discovery Using Density Functional Theory
Speaker: Dr. Shahab Naghavi (Shahid Beheshti University)
Date/Time: Monday, 1396/2/10, 15:30 دوشنبه
Place: Conference Hall, Department of Physics, University of Tehran, Kargar Avenue, 19th Street, Tehran.
Abstract:
First-principles calculations have reached a level of accuracy that analysis and prediction of hitherto unknown materials and their properties are possible. As finding better or even novel functional materials is critical for nearly every aspect of our society, nowadays first-principles assisted materials design has become the mainstream in materials chemistry. In the present work, we used density functional theory to design and discover new materials for energy and aerospace applications.