- Integrated Computational and Experimental Methods for the Accelerated Maturation of Materials (NSF-FRG)

- Richard
Hennig

Diffusion in Ni-Al-Re superalloys 2002 March APS talk

- Jeongnim Kim
- Tat-Sang (Alex) Choy; see also Talk on recognizing structures 8 July 02 talk (current progress)
- Dallas Trinkle; see also Atomistic Mechanisms of Martensitic Phase Transformations: Titanium HCP to Omega, May 03 barrier pathways

- Kaden Hazzard Enhanced Nickel Diffusiion 28 June 2004
- 2002 APS March meeting
- Lars Jonsson
- Daniel Cociorva
- Kaden Hazzard
- Jeongnim Kim
- Seugnwon Lee Multiply charged InAs nanocrystal modeled with empirical tight binding
- Richard Hennig
- Dallas Trinkle

Complete Titaniu HCP -> Omega Transformation Mechanism

Ti HCP -> Omega Transformation with Oxygen Impurities

- David Richie

Real-Time Multiresolution Analysis for Molecular Dynamics

Simulations of Infrequent Events (05/04/01, MRS invited talk)

Wavelet-Based Tools for the Enhancement and Analysis of

Numerical Simulation (10/11/01)

Wavelets: A Brief Tutorial and Applications in OHMMS (8/8/01)

Self-Adapting Wavelet Solution of Partial

Differential Equations (7/14/00)

All presentations - Sven Rudin at Los Alamos National Laboratory Phonons for the masses
- Lars Jonsson talk on quantum information/computing
- Interstitial defects in silicon: cluster to extended defects, More technical version
- Computing quasiparticle energies:
Summary
of calculation and experiments

Slide show of talk (gifs are a little faint) - Ga adatoms potential energry surface (only pictures)
- 40-frame movie:
twist wafer bonding of two silicon slabs. Color indicates bond
energy: red-> high; blue-> low (close to bulk ground state).

140 frame movie, colors denote local coordination (4.8 MB); tight-binding simulation.

- Dallas Trinkle: Total energy & elastic properties of Ti via Tight-Binding, hcp->omega pathways
- Roger Sakhel: Time-dependent exciton correlations in nanoscale quatum dots
- Seungwon Lee:
Electron-hole correlations in quantum dots with tight-binding orbitals
(first draft)

Other presentations

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.

- Tight-Binding in metals:
- Dallas Trinkle: Titanium fits
- Florian Kirchhoff: Molecular Dynamics

- Bulk, defected structures, Jeongnim Kim: Interstitial defects in silicon; see also <110> chain and {311} extended defects
- Electronic structures of surface, Jeff LePage: Ga on GaAs surface
- Quasiparticle calculations, including postscript copy of review article and one-page viewgraphs summaries of major results.

- Object-oriented methods for efficient, reusable code generation. General experience (postscript version, only); Example for quasiparticle calculations
- Parallel Tight-binding methods: see Florian Kirchhoff's home page and DoD efforts; see also NRL Tight-binding paramater are on line [text browser]
- Intro to DMRG approach to O(N) diagonalization of TB matrices for metals (idea and code of Steve R White)

- Density Functional Theory July 1999
- Materials Science September 1999
- Computing September 1999
### October 1996 Research Interests

Your comments and suggestions are appreciated.

**To cite this page:**

Research Interests

<http://www.physics.ohio-state.edu>

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Edited by: wilkins@mps.ohio-state.edu on