Theoretical Studies of Nanostructures.

Catalog description

Semester course; 3 lecture hours. 3 credits. Prerequisite: CHEM 660 or PHYS 580 . Introduction to theoretical techniques needed to study electronic and magnetic properties of nanostructures. Covers theoretical first-principles approaches to study electronic structure of molecules, clusters, nanostructure materials and condensed matter, including determination of geometry and electronic states. Will also cover magnetic properties in reduced sizes, including quantum effects and the model Hamiltonians. A brief discussion of effective interatomic molecular potentials and their application in monte-carlo and molecular dynamics methods will be included, as well as a discussion of application of nanomaterials to medical areas. Suggested background: CHEM 660 or PHYS 580 .