Report for ANU projects on pc for the time periods Jan-Mar,2000, Apr-Jun,2000, Jul-Sep,2000, Oct-Dec,2000

Project Title Number of
Allen T W (Chemistry, Faculty of Science)
w50 Molecular Dynamics Studies of Membrane Ion Channels 5 3000 3298
Braun J (Geodynamics, RSES)
m22 Three-dimensional Modelling of Crustal Deformation Coupled to Surface Processes 4 500 0
Brent R P (Computer Sciences Laboratory, RSISE)
k58 Applications of Integer Factorization 3 2000 2066
Chelvanayagam G (Human Genetics, JCSMR)
x06 Mechanism of the GSTT2 Enzyme 3 300 0
Chung S H (Chemistry, Faculty of Science)
w16 Analysis of Single Channel Currents Using Signal Processing Techniques Based on Hidden Markov Models 5 10100 10165
x26 Simulation of Biological Ion Channels 6 9000 9231
Collins M A (Physical and Theoretical Chemistry, RSC)
s01 Molecular Potential Energy Surfaces by Interpolation 6 5700 5431
Cummins P L (Computational Molecular Biology, JCSMR)
u51 qm/MM Calculations on Solvated Molecules 4 7550 7544
Dewar R L (Theoretical Physics, RSPhysSE)
s55 Plasma Turbulence in 3-Dimensional Magnetically Confined Plasmas 7 25 0
Easteal S (Human Genetics, JCSMR)
w02 Comparative Evolutionary Analysis of Mitochondrial Genomes Using Maximum Likelihood 3 1000 0
El-Khoury W (Mathematics, Faculty of Science)
x23 Black Hole Soft X-Ray Transients 1 600 0
Evans D J (Physical and Theoretical Chemistry, RSC)
r61 Strain Rate Dependence of Heat Transfer as Applied to Planar Poiseuille Flow 2 6000 3819
s02 Calculation of the Stability of Phase Space Trajectories using Molecular Dynamics Simulations 5 5200 3908
Fischer G (Chemistry, Faculty of Science)
u01 Energies and Potential Surfaces of the Excited Electronic States of the Triazines 2 2200 2166
u54 Structures and Vibrational Frequencies of Pure Halocarbon Clusters, and Mixed Clusters with Water 2 1800 1598
Gready J E (Computational Molecular Biology, JCSMR)
u53 Definition of the Chemical Mechanism of the Photosynthetic Enzyme Rubisco 6 6300 6282
v53 Hybrid Quantum Mechanical and Molecular Mechanical Studies of the Reaction Mechanism of Lactate and Malate Dehydrogenase 3 4800 4533
v54 Computation of Electron Densities of Proteins by a Classical Electrostatic Model 2 4800 4756
w05 Hybrid Quantum Mechanical and Molecular Mechanical Studies of the Reaction Mechanism of Dihydrofolate Reductase 5 4250 4250
x04 Simulation of the Structure of Sugar Chains of Glycoproteins 4 5800 4241
x11 Evaluation of the Potential of MOZYME for the Study of Enzyme Reaction Mechanisms 3 4600 4568
Gulacsi M (Theoretical Physics, RSPhysSE)
x18 The Density Matrix Renormalization Group 3 4000 847
Hall P G (Mathematics Research Section, SMS)
x21 Curve Estimation 3 2900 2016
Heath G A (Inorganic Chemistry, RSC)
x30 Electronic Structure Calculations via ANUSCF 1 200 80
Kheifets A S (Electron Physics Unit, RSPhysSE)
x01 Non-perturbative Theory of Atomic Ionization with Two-electron Continuum 1 1570 329
Knackstedt M A (Applied Mathematics, RSPhysSE)
w09 Large-scale Modeling of Multi-phase Flows in Heterogeneous Porous Media 8 9795 10154
Kreger T (Aust Centre Arts and Technology, Canberra Institute of the Arts)
v57 Batch Rendering of Computer Animated Sequences 2 6000 1018
Martin J P (Laser Physics Centre, RSPhysSE)
w08 Strongly Driven 2,3,6 Level Quantum Systems 1 1000 345
McClelland D (Physics and Theoretical Physics, Faculty of Science)
x19 Ligo Gravitational Wave Data Analysis 6 450 2
Ollis D L (Protein Structure, RSC)
s06 Protein Refinement and Engineering 9 670 363
Pace R J (Chemistry, Faculty of Science)
v64 ab initio Modelling of the Manganese Centre of Photosystem II 2 1000 468
Radom L (Computational Quantum Chemistry, RSC)
k29 Gas-Phase Ion Chemistry 10 6110 4840
p03 Unusual Structural and Energetic Consequences of Ionization 4 5810 3925
q07 Chemistry of Free Radicals 3 6898 5138
q08 Theoretical Thermochemistry 2 5110 1790
r54 Planar Carbon 2 3090 399
s08 Free Radical Polymerization Reactions 2 3210 974
v01 Enzyme-Mediated Reactions 2 1011 447
v55 Ion-Neutral Complexes 3 2500 1723
v56 Small Ring Phosphorus Chemistry 3 2500 2187
Ramsden S J (Aust Centre Arts and Technology, Canberra Institute of the Arts)
x22 Rendering of Nanotechnology Computer Animation Sequences 1 1500 0
Sambridge M S (Seismology, RSES)
r58 Applications of Computational Geometry to Large Scale Geophysical Inverse Problems 1 630 31
Savage C M (Physics and Theoretical Physics, Faculty of Science)
x27 Bose-Einstein Condensates and Atom Lasers 3 800 408
Schranz H W (Physical and Theoretical Chemistry, RSC)
s10 Efficient Calculation of Statistical and Dynamical Reaction Rates for Large Dimensional Molecular Systems 1 100 148
Stranger R (Chemistry, Faculty of Science)
x24 Magnetic Interactions in Transition Metals 2 2500 1474
Torda A E (Inorganic Chemistry, RSC)
v04 Development and Application of Protein Fold Recognition Force Fields 4 1800 803
w51 Blending Protein Secondary Structure Information and Knowledge-Based Force Fields 3 2000 1147
x08 NMR Spectral Assignment Using Structural Information 3 800 18
Weiss A A (Statistics, Faculty of Economics)
x25 Bayesian Analysis on the Reserve Bank of New Zealands Macroeconomic Model 1 3100 2070
Welberry T R (Physical and Theoretical Chemistry, RSC)
p05 Computation of X-ray Diffraction Patterns for 3D Model Systems 4 110 1
Totals* 162689 121001

* Totals include projects not listed here which made little or no use of the grant