College of Physical & Mathematical Sciences,
Nano Research Area
The research activities of Prof. Buongiorno-Nardelli and his group are focused on the application of ab initio electronic structure techniques to the theoretical study of important aspects of the physics of material. Current research programs are carried out in a joint collaborative environment both at NC State and at Oak Ridge National Laboratory. They focus on various aspects in the fields of computational materials and high performance simulations, such as: molecular electronics at the nanoscale and quantum transport in molecules and molecular materials; design of novel electronic devices; physics and chemistry at interfaces and surfaces; theoretical developments of ab initio quantum transport, DFT-based methods and multiscale computational techniques.