Applications of Objective Structures to Study Nanostructures

I will describe the Objective Structures framework introduced by James, and further developed by in our collaborations with him. The framework has enabled a systematic approach to a broad variety of problems relevant to the design and characterization of materials at the atomic level. I will describe some of these activities from the research groups at University of Minnesota and Carnegie Mellon. These applications include efficient new computational methods for the study of electron structure and transport in low dimensional materials, theoretical insights and computational methods for non-equilibrium molecular dynamics and Boltzmann equation, and the self-assembly of complex nanostructures.