Research Interests

Funding Collaborations

Web pages of group members

Slide shows

Student talks as slide shows

See also group web pages, publication list with pdf versions of papers and recent preprints.

Properties of defected materials

Systems of interest include: (1) surface and heterepitaxy-interface reconstruction; (2) heavily defected bulk by ion implantation; (3) pressure or shock-induced transitions.

Molecular dynamics evolves the "steady state" distribution of defected systems. These MD calculations use classical and tight-binding potentials. Especially interesting structures are confirmed by "first-principles" LDA calculations.

Quasiparticle methods compute the electronic states of these defected systems.

Electronic and other properties are computed from these accurate electronic states.

Computational methods

Wilfred Aulbur