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.

Murray T. Batchelor

Zero-noise Limit of Three-dimensional Laplacian Growth Processes

Richard P Brent

Integer Factorization Algorithms

Douglas R Christie

Propagation of Highly Nonlinear Solitary Waves in Stratified Shear Flows

Shin-Ho Chung

Permeation of Ions through Membrane Channnels

Michael A. Collins

Molecular Potential Energy Surfaces by Interpolation

Michael A. Collins

Model Simulations of B-DNA Dynamics

Peter L. Cummins

QM/MM Calculations on Solvated Molecules

Robert L Dewar

3D MHD Equilibrium and Stability and Simulation of Neoclassical Plasma Transport

Robert Dewar

Plasma Turbulence in 3-dimensional Magnetically Confined Plasmas

Denis J Evans

Transport Processes in Liquids of Flexible Chain Molecules/Molecular Dynamics on the CM-5

Denis J Evans

The Study of the Process of Gelation Using Parallel Molecular Dynamics Programs

Denis J Evans

Strain Rate Dependence of Heat Transfer as Applied to Planar Poiseuille Flow

Denis J Evans

Calculation of the Stability of Phase Space Trajectories using Molecular Dynamic Simulations

Gad Fischer

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.

Takashi Furumura

3-D Modeling of Seismic Save Propagation

Frank Gibson

A Combined Molecular Biological and Computer Graphics Study of Biologically Active Proteins

Jill Gready

Enzyme-ligand Docking and Design

Jill Gready

Definition of the Chemical Mechanism of the Photosynthetic Enzyme Rubisco

David Harrar II

Parallel/Vector Implementations of Algorithms for the Solution of PDEs

Frank P Houwing

Non-equilibrium Re-entry Flows (CFD Validation)

Chennupati Jagadish

Molecular Dynamics Simulation of Carrier Dynamics in Semiconductors

Tony Jakeman

Coupling Surface Hydrology Models to the CCM

Tony Jakeman

Dynamic Separation of Catchment Water Balance

Mark Knackstedt

Flow and Fracture in Heterogeneous Materials

Mark Knackstedt

Mechanical and Transport Properties of Model Bicontinuous Materials

Serdar Kuyucak

Investigation of Collective Nuclei in the SDG Interacting Boson Model

Kurt Lambeck

Mantle Viscosity, Glacial Rebound and Sea-Level Change

Alison Leitch

Mantle Plumes

Barry Luther-Davies

Towards a Modelocked Waveguide Laser

Barry Luther-Davies

Dark Optical Solitons and Soliton Induced Waveguides

Ian Noble

A Spatial Model of Community dynamics in Patchy Landscapes

Ian Noble

Dynamics of Mistletoe Invasion of Fragmented Woodlands

David Ollis

Protein Refinement and Engineering

Leo Radom

Computational Quantum Chemistry

Malcolm Rasmussen

Regioselectivity of Enolate Alkylations

Craig Savage

Modelling Atom optics

Harold W Schranz

Efficient Calculation of Statistical and Dynamical Reaction Rates for Large Dimensional Molecular Systems

John A Taylor

A 3-D Tropospheric Transport and Chemistry Model

John A Taylor

Climatic Effects of Biomass Burning

John A Taylor

Climate Studies with the CCM2 - Controls for the Present Day Climate

John A Taylor

Mesoscale Meteorological Modelling

John A Taylor

Chemistry of Ozone and Carbon Monoxide

T Richard Welberry

Computation of W-ray Diffraction Patterns for 3D Model Systems