SBASSE Seminar: First Principles Study of GlaSBASSEs
SBASSE FACULTY SEMINAR SERIES
First Principles Study of GlaSBASSEs
The disordered phases of materials, amorphous and especially glassy phase, have long been a challenging field of research in materials science. The research in this area deals with a wide range of issues, from structure properties and electronic signatures to response under external perturbations and beyond. In the last two decades, the advancement in the first principle treatment of inter-atomic interactions, such as the Density Functional Theory (DFT) and its merging to the classical Molecular Dynamic (MD) simulation techniques, have allowed researchers to explore the structural and electronic properties of materials at the atomic scale. In this talk, the speaker will discuss the methodology behind the ab-initio molecular dynamics simulations and its applications in modeling and simulating disordered systems. Focus will be on the question of homogeneity in binary glaSBASSEs and its relevance to the ionic diffusion in disordered media.
April 3 | Aziz Mithani, Biology
April 10 | Rahman Shah Zaib Saleem, Chemistry