Appendix A: Individual Research Reports
This section presents individual reports on projects led by ANU Principal
Investigators (PIs) during 1999-2001.
These projects were supported by the Supercomputer Time Allocation Committee
(STAC) on the VPP300 and SGI Power Challenge, and by the STAC and Merit Allocation
Scheme on the Compaq AlphaServer SC.
In some cases several projects led by the same PI are combined into a single report.
Reports were not received for a small number of projects.
Toby Allen: Permeation of Ions Through Membrane Channels - Molecular Dynamics Studies
Niels Becker: Estimating Trends in HIV Incidence for Australian Women
Richard Brent: Applications of Integer Factorization
Gareth Chelvanayagam: Mechanism of the GSTT2 Enzyme
Shin-Ho Chung: Permeation of Ions Through Membrane Channels - Molecular Dynamics Studies
Michael Collins: Molecular potential energy surfaces
Peter Cummins: QM/MM Calculations on Solvated Molecules and Enzyme Reaction Mechanisms
Geoff Davies: Mantle Plumes
Robert Dewar: Plasma Turbulence in 3-Dimensional Magnetically Confined Plasmas
Denis Evans: Calculation of the Stability of Phase Space Trajectories Using Molecular Dynamics Simulations
Gad Fischer: Spectra and Molecular Structures
Roger Fux: N-body Simulation of the Milky Way
Roger Fux: Simulations of Spiral Galaxies
Henry Gardner: 3D MHD Equilibrium and Stability
Alexei Gorbatov: Tomographic Imaging of the Western Pacific
Jill Gready: Definition of the Chemical Mechanism of the Photosynthetic Enzyme Rubisco
Jill Gready: Hybrid QM/MM Studies of the Reaction Mechanism of Dihydrofolate Reductase
Jill Gready: Simulation of the Structure of Sugar Chains of Glycoproteins
Jill Gready: Evaluation of the Potential of MOZYME for the Study of Enzyme Reaction Mechanisms
Miklos Gulacsi: The Density Matrix Renormalization Group
Peter Hall: Fault Line and Boundary Estimation from Spatial Data
Alexander Isaev: A Rigorous and Efficient Method for Inferring Phylogenetic Relationships
Brian Kennett: Highly Nonlinear Solitary Waves in Compressible Fluids
Brian Kennett: Surface Wave Tomography
Brian Kennett: Simulation of Seismic Wave Propagation Using a Wavelet-Based Method
Anatoli Kheifets: Non-perturbative Theory of Atomic Ionization with Two-electron Continuum
Mark Knackstedt: Large-Scale Modeling of Multi-Phase Flows in Heterogeneous Porous Media
Serdar Kuyucak: Investigation of Continuum Approaches to Modelling of Membrane Channels
Kieran Lim: Computational Studies of Chemical Reaction Dynamics
David McClelland: LIGO Gravitational Wave Data Analysis
Catherine Meriaux: Plume zonation and modelling with "Fluent"
David Ollis: Protein Refinement and Engineering
Janka Petravic: Transport Properties of Systems with Long Range Interactions
Leo Radom: Structural and Mechanistic Chemistry
Alistair Rendell: Development of Computational Chemistry Methods for Parallel Processors
Craig Savage: Atom Lasers and Bose-Einstein Condensates
Curtis Saxton: Filamentary Structure in the Lobes of Radio Galaxies
Harold Schranz: Efficient Calculation of Statistical and Dynamical Reaction Rates for Large Dimensional Molecular Systems
Alexander Smola: Kernel Methods for Bioinformatics
Robert Stranger: Magnetic Interactions in Transition Metals
Ralph Sutherland: Astrophysical Radiative Shock Simulations
Andrew Torda: NMR Spectral Assignment Using Structural Information
Richard Welberry: Computation of X-ray Diffraction Patterns for 3D Model Systems
David Williams: Collapse and Folding of Block Copolymers