Molecular Modeling in Electronic Materials Processing

This session will address problems arising in electronic materials processing using molecular modeling tools such as quantum mechanical density functional theory calculations, molecular-dynamics simulations, and kinetic Monte Carlo simulations. Materials systems of interest include bulk, thin-film, and nanonstructured forms of crystalline and amorphous semiconductors, conductors, and insulators, which are used in various microelectronic, optoelectronic, and photovoltaic technologies.