Appendix A ANU VP2200 and CM-5 Individual Research
Reports
This section presents individual reports on internal projects
supported by the Time Allocation Committee on the VP2200 and the
CM-5. The reports were prepared by the individual principal investigators
in a standard format. In some cases several projects are combined
into a single report. At the time of going to press reports had
not been received for a small number of projects.
Zero-noise Limit of Three-dimensional Laplacian Growth Processes
Integer Factorization Algorithms
Propagation of Highly Nonlinear Solitary Waves in Stratified Shear Flows
Permeation of Ions through Membrane Channnels
Molecular Potential Energy Surfaces by Interpolation
Model Simulations of B-DNA Dynamics
QM/MM Calculations on Solvated Molecules
3D MHD Equilibrium and Stability and Simulation of Neoclassical Plasma Transport
Plasma Turbulence in 3-dimensional Magnetically Confined Plasmas
Transport Processes in Liquids of Flexible Chain Molecules/Molecular Dynamics on the CM-5
The Study of the Process of Gelation Using Parallel Molecular Dynamics Programs
Strain Rate Dependence of Heat Transfer as Applied to Planar Poiseuille Flow
Calculation of the Stability of Phase Space Trajectories using Molecular Dynamic Simulations
Structures and Vibrational Frequencies of Pure Halocarbon Clusters and Mixed Clusters with Water
Energies and Potential Surfaces of the Excited Electronic States of the Triazines.
3-D Modeling of Seismic Save Propagation
A Combined Molecular Biological and Computer Graphics Study of Biologically Active Proteins
Enzyme-ligand Docking and Design
Definition of the Chemical Mechanism of the Photosynthetic Enzyme Rubisco
Parallel/Vector Implementations of Algorithms for the Solution of PDEs
Non-equilibrium Re-entry Flows (CFD Validation)
Molecular Dynamics Simulation of Carrier Dynamics in Semiconductors
Coupling Surface Hydrology Models to the CCM
Dynamic Separation of Catchment Water Balance
Flow and Fracture in Heterogeneous Materials
Mechanical and Transport Properties of Model Bicontinuous Materials
Investigation of Collective Nuclei in the SDG Interacting Boson Model
Mantle Viscosity, Glacial Rebound and Sea-Level Change
Mantle Plumes
Towards a Modelocked Waveguide Laser
Dark Optical Solitons and Soliton Induced Waveguides
A Spatial Model of Community dynamics in Patchy Landscapes
Dynamics of Mistletoe Invasion of Fragmented Woodlands
Protein Refinement and Engineering
Computational Quantum Chemistry
Regioselectivity of Enolate Alkylations
Modelling Atom optics
Efficient Calculation of Statistical and Dynamical Reaction Rates for Large Dimensional Molecular Systems
A 3-D Tropospheric Transport and Chemistry Model
Climatic Effects of Biomass Burning
Climate Studies with the CCM2 - Controls for the Present Day Climate
Mesoscale Meteorological Modelling
Chemistry of Ozone and Carbon Monoxide
Computation of W-ray Diffraction Patterns for 3D Model Systems