Overview

Computational Theory: Calculation of the electronic and magnetic properties of materials, including composite structural materials, electroceramics, and bioceramics. Development of hybrid methodologies, combining best features of first-principles quantum theory with semi-classical modeling and thermo-dynamics.

A recent example: Reconstruction and relaxation of interface between CFO (cobalt ferrite) and STO (strontium titanate) heterojunctions. (D. Wells, J. Cheng, B.W. Wessels, D. E. Ellis, 2009)

See abstract for a recent combined theory/experiment collaboration:

Bispinel Multilayers- toward multifunctional materials

See (unpublished) preprint for work on spinel/perovskite multilayers: Multilayer_preprint

See Don's publication list for other applications: Don Ellis' Publications