Theory Facility Research
Theory Facility scientists play an integral role in user projects, where calculations are either performed by us, or by the user with our training and supervision. In each of these projects, we work with our users to define the scope of the problem and identify the best approach.
Our current research spans the following topics:
Energy-related Nanoscience
Notable Project: Electronic structure calculations of tapered silicon nanowires
Mechanics and Dynamics
Notable Project: Structural transformations of carbon nanotubes under hydrostatic pressure
New Materials
Notable Project: Structural, electronic, and magnetic properties of nanostructured SrRuO3 epitaxial ultrathin films
New Methodologies
Notable Project: Electronic transport of molecular nanostructures at finite bias voltage
