In-silico material synthesis for advanced materials

High performance computation has played ever increasing role, both in industry and academia, in understanding the underlying the physics of complex materials behaviors, in particular, decipher how material structures determines material properties. In this talk, we will focus on atomic-level modeling the synthesis process of materials in order to have realistic atomic models, which should resemble better structurally to materials characterized and tested in experiments. Moreover, in-silico material synthesis can also help understand how processing affects structures, permitting processing optimization to achieve better material properties. We will cover a number of advanced materials systems using this research strategy including porous carbon, various family of glasses, epitaxial thin films, and polymers.