Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistr ....Programming Paradigms, Tools and Algorithms for Electronic Structure Calculations on Clusters of Non-Uniform Memory Access Parallel Processors. In recent years Australian academia has invested heavily in high performance computing systems. A significant fraction of these resources are devoted to performing computational chemistry studies, such as those used in drug design. This project links Australian researchers with the company responsible for a particularly widely used computational chemistry application package, and also with a major international computer company. Our aim is to substantially improve the performance of this code on cluster based compute systems. This, as well as our generic performance evaluation tools, would be of substantial benefit to the Australian research community. The project will forge links with researchers in Singapore, Japan and the USA.Read moreRead less
Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum che ....Programming Paradigms, Tools and Algorithms for the Spectral Solution of the Electronic Schroedinger Equation on Non-Uniform Memory Parallel Processors. We propose to develop software tools and methods that are appropriate for current and future generations of large scale shared memory computer systems. Our purpose is to enable a more productive utilization of these architectures for scientific computation. We will focus on algorithms for solving differential equations appropriate to quantum chemistry. In particular an exciting new class of methods whose computational cost scales linearly with system size. Our goal is to develop scalable parallel implementations of these methods. If realized this will revolutionize computation, enabling first principles calculations on truly nanoscale systems, such as enzymes and molecular electronic devices.Read moreRead less
Developing Reliable Bio-Crypto Features for Mobile Template Protection. Cost of identity theft crimes were at multi-million dollars in Australia in 2007. Technically this is due to the fact that conventional personal identification number and token based security mechanisms cannot identify genuine users. Biometric fingerprint security systems emerge as a promising solution. However protection of the mobile embedded fingerprint template itself is an unresolved problem. The project aims to devel ....Developing Reliable Bio-Crypto Features for Mobile Template Protection. Cost of identity theft crimes were at multi-million dollars in Australia in 2007. Technically this is due to the fact that conventional personal identification number and token based security mechanisms cannot identify genuine users. Biometric fingerprint security systems emerge as a promising solution. However protection of the mobile embedded fingerprint template itself is an unresolved problem. The project aims to develop new ways designing bio-cryptosystems that provide strong security strength. The project will bring new body of knowledge into this field and place Australia in the forefront of this research, and also result in strengthened security of IT infrastructure and systems for industries.Read moreRead less
Designing Distributed Intrusion Detection Systems for Critical Industrial Infrastructures. SCADA systems are computerized systems that control and monitor industrial and critical infrastructures, such as power grid, gas and water facilities and nuclear power plants. Many cyber-attacks on SCADA systems make such systems vulnerable. Also there is an increasing risk that SCADA vulnerabilities could be exploited by terrorist organizations. The security of SCADA systems of critical infrastructures ha ....Designing Distributed Intrusion Detection Systems for Critical Industrial Infrastructures. SCADA systems are computerized systems that control and monitor industrial and critical infrastructures, such as power grid, gas and water facilities and nuclear power plants. Many cyber-attacks on SCADA systems make such systems vulnerable. Also there is an increasing risk that SCADA vulnerabilities could be exploited by terrorist organizations. The security of SCADA systems of critical infrastructures has enormous and direct impact to our national security, economy and social life because of potential disasters that could happen from natural causes as well as malicious attacks. This project aims to investigate the relevant issues and provide efficient and reliable technological solutions to detect and prevent such problems.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
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
Advancing Medical Image Analysis through High Performance Heterogeneous Computing, Numerical Simulation, and Novel Human Computer Interfaces. This project will link Australian researchers with a major multi-national IT company. The engagement of world-class personnel from Microsoft will provide unprecedented opportunities for graduate students to experience research in both an academic and an industrial setting. The participation of Microsoft product division offers the potential to transform th ....Advancing Medical Image Analysis through High Performance Heterogeneous Computing, Numerical Simulation, and Novel Human Computer Interfaces. This project will link Australian researchers with a major multi-national IT company. The engagement of world-class personnel from Microsoft will provide unprecedented opportunities for graduate students to experience research in both an academic and an industrial setting. The participation of Microsoft product division offers the potential to transform the outcomes of this project into widely-used software solutions. The project will pave the way for more widespread and reliable evidenced-based computer-aided diagnosis and image-guided treatment. It will produce well-trained and sought-after graduates and research associates with extensive inter-disciplinary knowledge of medical image analysis and high-performance computing.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.
Thermo-mechanical interactive atlas of basin evolution. We propose to create a thermo-mechanical interactive atlas of basin evolution as a desktop geodynamic modelling resource for exploration geologists. The atlas will allow the user to iteratively run our 2D/3D basin modelling software ELLIPSIS to alter model parameters until they match observed basin geometries or thermal history. Model iteration will be based on interactive user evaluation of model outputs and genetic algorithms, which pr ....Thermo-mechanical interactive atlas of basin evolution. We propose to create a thermo-mechanical interactive atlas of basin evolution as a desktop geodynamic modelling resource for exploration geologists. The atlas will allow the user to iteratively run our 2D/3D basin modelling software ELLIPSIS to alter model parameters until they match observed basin geometries or thermal history. Model iteration will be based on interactive user evaluation of model outputs and genetic algorithms, which progressively modify the solution set by mimicking the evolutionary behavior of biological systems (selection, cross-over and mutation), until an acceptable result is achieved. The interactive atlas will be applied to Australian and international case studies.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