Presentations:

Multiscale modeling of the dynamics of 180° ferroelectric domain walls in PbTiO₃ Y.-H. Shin, I. Grinberg, and A. M. Rappe

Oxygen on Al(111) Y. Yourdshahyan

Carbon Monoxide on Cu(001)

Oxygen on Rh(111)E. J. Walter, S. P. Lewis, and A. M. Rappe

Carbon Monoxide on Zirconia-supported Copper E. J. Walter, S. P. Lewis, and A. M. Rappe

Carbon Monoxide on Pt(111)

Thiolate on Au(111) Y. Yourdshahyan, H. K. Zhang, and A. M. Rappe

Oxygen on Al(111) Y. Yourdshahyan

Carbon Monoxide on Cu(001)

Oxygen on Rh(111)E. J. Walter, S. P. Lewis, and A. M. Rappe

Carbon Monoxide on Zirconia-supported Copper E. J. Walter, S. P. Lewis, and A. M. Rappe

Carbon Monoxide on Pt(111)

Structure of Kappa-alumina Y. Yourdshahyan

Stress-Field Calculations of Ferroelectric Materials
(presented at the 1997 Williamsburg Workshop on Ferroelectrics)

Stress-Induced Phase Transition in (111)-Pb(Zr0.5Ti0.5)O3
(presented at the 1998 Williamsburg Workshop on Ferroelectrics)

Structural Studies of V2O5

Atmospheric Chemistry

H₂-OH van-der-Waals Complexes

Basic Theory and Methodology

Geometric Formulation of Quantum Strees Fields C. Rogers and A. M. Rappe (presented at the 2001 APS meeting).

Accurate Pseudopotentials I. Grinberg, N. J. Ramer and A. M. Rappe

A New Virtual Crystal Approximation N.R. Martin, M.J. Tucker, and A.M. Rappe

Parallel Computing

Quantum Monte-Carlo Simulations

Linking Molecular Overlayer Structure
and Surface Vibrational Dynamics
Michael V. Pykhtin, Steven P. Lewis, and Andrew M. Rappe
(presented at the 2000 Gordon Conference on Vibrational Spectroscopy)

MPI (Message Passing Interface) (presented at the 2008 October group meeting)