Black Hole Accretion: The Effects of Magnetic Fields and Radiation. This project represents a significant contribution by Australian researchers to one of Science's Big Questions: How do Black Holes channel gravitational energy into radiation at many different energies and into high speed outflows. It offers Australian Astronomy an opportunity to expand its endeavours into the rapidly growing and high profile areas of high-energy and computational astrophysics, injecting new expertise into the i ....Black Hole Accretion: The Effects of Magnetic Fields and Radiation. This project represents a significant contribution by Australian researchers to one of Science's Big Questions: How do Black Holes channel gravitational energy into radiation at many different energies and into high speed outflows. It offers Australian Astronomy an opportunity to expand its endeavours into the rapidly growing and high profile areas of high-energy and computational astrophysics, injecting new expertise into the interpretation of multi-wavelength data on accreting black holes. We will train a new cohort of internationally competitive students and early career researchers, equipping them with the advanced computational and modelling skills that are in increasingly higher demand in many technology-based industries.Read moreRead less
Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the m ....Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the medical and agricultural contexts.Read moreRead less
Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linea ....Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linear scaling electronic structure codes, methods that are critical to the study of nano- and bio-materials, and are therefore of great importance to our economic future and medical well being. The project will build expertise within Australia in the area of interval arithmetic, an area that is currently poorly represented.Read moreRead less
Improving the accuracy of phylogenetic reconstruction by improving models of sequence divergence. Phylogenies describe the relationships among species and provide the essential framework for understanding evolutionary processes. They are an essential tool in the identification of functionally important regions in DNA sequences. An important aspect of identifying phylogenies is measuring how DNA sequences change in time. The proposed research will develop sophisticated, practical models of sequen ....Improving the accuracy of phylogenetic reconstruction by improving models of sequence divergence. Phylogenies describe the relationships among species and provide the essential framework for understanding evolutionary processes. They are an essential tool in the identification of functionally important regions in DNA sequences. An important aspect of identifying phylogenies is measuring how DNA sequences change in time. The proposed research will develop sophisticated, practical models of sequence divergence and make them freely available in open source software. The software and models will positively impact on studies seeking to understand Australian biological diversity. The proposed resolution of the eutherian mammal orders will further significantly impact on utilisation of rodents as a model organism for human biology.Read moreRead less
Predicting Roll Angular Motion. The roll angular motion, or RAM, of a ship denotes its oscillation about its longitudinal axis, primarily caused by wave motion. The ability to predict RAM is of significant practical utility. For example, in defence-related work it plays a role in determining accuracy of weapons systems. We suggest a technique for predicting RAM. Our method borrows from both parametric and nonparametric statistics, in that a sinusoidal model is fitted to data but only over a ....Predicting Roll Angular Motion. The roll angular motion, or RAM, of a ship denotes its oscillation about its longitudinal axis, primarily caused by wave motion. The ability to predict RAM is of significant practical utility. For example, in defence-related work it plays a role in determining accuracy of weapons systems. We suggest a technique for predicting RAM. Our method borrows from both parametric and nonparametric statistics, in that a sinusoidal model is fitted to data but only over a short time interval. We show how to both assess and correct error. In particular, we propose methods for attaching probabilities to the accuracy of predictions.Read moreRead less
Electron correlation models using morph operators and hybrid intracules. A new solution to the central problem in quantum chemistry will allow researchers in the chemical, pharmaceutical and materials sciences to predict the chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Development and implementation of efficient new models for electron correlation. The two new approaches will allow researchers in the chemical, pharmaceutical and materials sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Investigation and Development of Parallel Large Scale Record Linkage Techniques. Record linkage aims at matching records of the same entity (like customer or patient) in large (administrative) databases. The outcomes of the proposed research will improve current techniques in terms of efficiency, accuracy and the need for human intervention. Through experimental studies and stochastic modelling the performance of traditional and new methods for data cleaning, standardisation and linkage will be ....Investigation and Development of Parallel Large Scale Record Linkage Techniques. Record linkage aims at matching records of the same entity (like customer or patient) in large (administrative) databases. The outcomes of the proposed research will improve current techniques in terms of efficiency, accuracy and the need for human intervention. Through experimental studies and stochastic modelling the performance of traditional and new methods for data cleaning, standardisation and linkage will be assessed. The effect of the statistical dependency of attribute values will be studied. New methods using clustering for blocking large datasets, and predictive models including interaction terms will be implemented, analysed and evaluated on high-performance computers and office-based PC clusters.
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