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

Project Title Number of
Ahrling K A (Chemistry, Faculty of Science)
q63 Theoretical Studies of the Oxygen Evolving Site of Photosystem II 1 160 47
Allen T W (Chemistry, Faculty of Science)
w50 Molecular Dynamics Studies of Membrane Ion Channels 5 4320 4231
Bicknell G V (Astronomy, RSAA)
x28 Simulation of Twisted Flux Tubes 4 300 22
Braun J (Geodynamics, RSES)
m22 Three-dimensional Modelling of Crustal Deformation Coupled to Surface Processes 4 1000 1
Brent R P (Computer Sciences Laboratory, RSISE)
k58 Applications of Integer Factorization 3 2000 2043
Chelvanayagam G (Human Genetics, JCSMR)
x07 Flexibility of the GSTT2 Enzyme 3 300 0
Chung S H (Chemistry, Faculty of Science)
r06 Permeation of Ions Through Membrane Channels - Molecular Dynamics Studies 7 15372 15419
x26 Simulation of Biological Ion Channels 6 10918 9727
Collins M A (Physical and Theoretical Chemistry, RSC)
s01 Molecular Potential Energy Surfaces by Interpolation 6 550 126
Cummins P L (Computational Molecular Biology, JCSMR)
u51 qm/MM Calculations on Solvated Molecules 4 3800 1256
Davies G F (Geodynamics, RSES)
r01 Mantle Plumes 2 250 61
Dewar R L (Theoretical Physics, RSPhysSE)
s55 Plasma Turbulence in 3-Dimensional Magnetically Confined Plasmas 7 950 1
Edmundson D E (Optical Sciences Centre, RSPhysSE)
x12 Dynamics of Partially Coherent Solitons 2 100 2
Evans D J (Physical and Theoretical Chemistry, RSC)
s02 Calculation of the Stability of Phase Space Trajectories using Molecular Dynamics Simulations 5 4600 1451
Fischer G (Chemistry, Faculty of Science)
u01 Energies and Potential Surfaces of the Excited Electronic States of the Triazines 2 1100 580
u54 Structures and Vibrational Frequencies of Pure Halocarbon Clusters, and Mixed Clusters with Water 2 1100 879
Gardner H J (Theoretical Physics, RSPhysSE)
k12 3D MHD Equilibrium and Stability 5 1200 674
Gorbatov A (Seismology, RSES)
d76 Tomographic Imaging of the Western Pacific 1 100 1
Gready J E (Computational Molecular Biology, JCSMR)
u53 Definition of the Chemical Mechanism of the Photosynthetic Enzyme Rubisco 6 5700 5368
v53 Hybrid Quantum Mechanical and Molecular Mechanical Studies of the Reaction Mechanism of Lactate and Malate Dehydrogenase 3 5200 4272
w05 Hybrid Quantum Mechanical and Molecular Mechanical Studies of the Reaction Mechanism of Dihydrofolate Reductase 5 4750 372
x04 Simulation of the Structure of Sugar Chains of Glycoproteins 4 7100 6567
x11 Evaluation of the Potential of MOZYME for the Study of Enzyme Reaction Mechanisms 3 2000 513
Gulacsi M (Theoretical Physics, RSPhysSE)
x18 The Density Matrix Renormalization Group 3 200 1
Heath G A (Inorganic Chemistry, RSC)
x30 Electronic Structure Calculations via ANUSCF 1 200 0
Kennett B L (Seismology, RSES)
s52 Highly Nonlinear Solitary Waves in Compressible Fluids 3 150 1
x14 Surface Wave Tomography 2 325 69
Kuyucak S (Theoretical Physics, RSPhysSE)
x15 Investigation of Continuum Approaches to Modelling of Membrane Channels 4 5228 5230
Nix H A (Centre for Research Into Environ Studies, University Centres and Services)
q56 Environmental Domain Analysis with Very Large Data Sets - Evaluation of Attributes, Weightings, Classificatory Strategies 2 100 20
Ollis D L (Protein Structure, RSC)
s06 Protein Refinement and Engineering 9 80 1
Radom L (Computational Quantum Chemistry, RSC)
k29 Gas-Phase Ion Chemistry 10 4825 4282
p03 Unusual Structural and Energetic Consequences of Ionization 4 4825 3445
q07 Chemistry of Free Radicals 3 3725 2378
q08 Theoretical Thermochemistry 2 2625 1033
r54 Planar Carbon 2 1955 550
s08 Free Radical Polymerization Reactions 2 1825 331
v01 Enzyme-Mediated Reactions 2 2225 626
v55 Ion-Neutral Complexes 3 1525 188
v56 Small Ring Phosphorus Chemistry 3 2115 992
Savage C M (Physics and Theoretical Physics, Faculty of Science)
r62 Modelling Atomic Diffraction 3 170 1
Schranz H W (Physical and Theoretical Chemistry, RSC)
s10 Efficient Calculation of Statistical and Dynamical Reaction Rates for Large Dimensional Molecular Systems 1 100 121
Stranger R (Chemistry, Faculty of Science)
x24 Magnetic Interactions in Transition Metals 2 1500 1
Sutherland R S (Astronomy, RSAA)
v60 The Impact of Realistic Plasma Cooling Processes on the Hydrodynamics of Astrophysical Shockwaves 2 1800 1194
Weiss A A (Statistics, Faculty of Economics)
x25 Bayesian Analysis on the Reserve Bank of New Zealands Macroeconomic Model 1 50 33
Welberry T R (Physical and Theoretical Chemistry, RSC)
p05 Computation of X-ray Diffraction Patterns for 3D Model Systems 4 440 235
Williams J S (Electronic Materials Engineering, RSPhysSE)
x03 Molecular Dynamics Simulation of Defects in Ion Implanted and Annealed Silicon 4 300 0
Totals* 109158 74345

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