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
Towards a high density silicon phase change memory device. This project builds upon our exciting recent findings that amorphous silicon can be transformed to a conducting crystalline phase following small-scale indentation. Furthermore the process is reversible as re-indentation can induce a transformation back to insulating amorphous silicon. This process appears to occur in extremely small (nanoscale) volumes of silicon. We plan to explore the viability of exploiting this behaviour to develo ....Towards a high density silicon phase change memory device. This project builds upon our exciting recent findings that amorphous silicon can be transformed to a conducting crystalline phase following small-scale indentation. Furthermore the process is reversible as re-indentation can induce a transformation back to insulating amorphous silicon. This process appears to occur in extremely small (nanoscale) volumes of silicon. We plan to explore the viability of exploiting this behaviour to develop an entirely new information storage system: a high-density silicon phase change memory. This project aims to study small-scale transformation behaviour in silicon and to design demonstrator memory devices based on both micro-electromechanical systems and solid state technologies.Read moreRead less
Tailoring cellulose properties by manipulating cellulose synthase. Cellulose, a highly abundant polymer produced by plants, has many existing uses in Australian fibre and polymer industries and potential uses as, for example, an abundant feedstuff for biomass conversion into ethanol and other high value products. The optimal properties for different applications vary so that, for example, high crystallinity cellulose gives strong fibres whereas low crystallinity cellulose dissolves in gentler so ....Tailoring cellulose properties by manipulating cellulose synthase. Cellulose, a highly abundant polymer produced by plants, has many existing uses in Australian fibre and polymer industries and potential uses as, for example, an abundant feedstuff for biomass conversion into ethanol and other high value products. The optimal properties for different applications vary so that, for example, high crystallinity cellulose gives strong fibres whereas low crystallinity cellulose dissolves in gentler solvents on the way to producing cellulose-based polymers. By exploring ways to adjust the properties of celluloses for use in different applications, we can deliver potential benefits to primary producers, industries and the environment.
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Discovery of new genes for plant cellulose biosynthesis and improved fibre production. Cellulose, the world's most abundant biopolymer, is important to the cotton and forest industries and for human and animal nutrition. Before biotechnology can manipulate cellulose, we must identify the enzymes of the synthesis pathway and understand how their properties determine the properties of the cellulose they produce. Not all enzymes are known and any relationships to cellulose properties remain unexplo ....Discovery of new genes for plant cellulose biosynthesis and improved fibre production. Cellulose, the world's most abundant biopolymer, is important to the cotton and forest industries and for human and animal nutrition. Before biotechnology can manipulate cellulose, we must identify the enzymes of the synthesis pathway and understand how their properties determine the properties of the cellulose they produce. Not all enzymes are known and any relationships to cellulose properties remain unexplored. This study extends our successful mutational analysis of cellulose synthesis in Arabidopsis and initiates the molecular analysis of organisms making cellulose with distinctive properties. It will significantly advance knowledge of cellulose biosynthesis and identify novel genes for fibre improvement.Read moreRead less
Isolation and characterization of genes regulating female reproductive organ development in plants. Genes that regulate female reproductive organ development are of immense value for Australia as tools for seed improvement. Those from our preliminary screen have convinced our industry partners that they can be agents for engineering of apomixis or creation of fertile seed without fertilisation. This will allow the capture of hybrid vigour in wheat and rice, for which commercial hybrid seed prod ....Isolation and characterization of genes regulating female reproductive organ development in plants. Genes that regulate female reproductive organ development are of immense value for Australia as tools for seed improvement. Those from our preliminary screen have convinced our industry partners that they can be agents for engineering of apomixis or creation of fertile seed without fertilisation. This will allow the capture of hybrid vigour in wheat and rice, for which commercial hybrid seed production is not currently available. In wheat alone, apomixis presents for Australia an economic value of more than Aus$ ½ billion per annum. Furthermore, controlled apomixis will accelerate breeding programs that will bring drought resistance and minimal fertiliser requiring varieties to the farmer.Read moreRead less
Control of meiosis and embryogenesis as a means to induce higher plants to reproduce asexually through seed. New plant meiosis-control genes will be isolated and characterised. These will be used, together with cell proliferation control genes characterised in the applicant's laboratory, to control gamete formation and embryo development in higher plants, and hence plant reproduction. This research will provide a platform for genetic fixation of hybrid vigour and repeat propagation of F1 hybrid ....Control of meiosis and embryogenesis as a means to induce higher plants to reproduce asexually through seed. New plant meiosis-control genes will be isolated and characterised. These will be used, together with cell proliferation control genes characterised in the applicant's laboratory, to control gamete formation and embryo development in higher plants, and hence plant reproduction. This research will provide a platform for genetic fixation of hybrid vigour and repeat propagation of F1 hybrid seed without attenuation of vigour. The technology will increase yield and profitability for Australian agriculture, and ensure access to technology that the industry partner will otherwise develop overseas. The technology benefits most major crops that are bred and grown to meet increasing demand for food and speciality products for pharmaceutical or industrial purposes.Read moreRead less
The role of the Ttyh1 protein in cell activation. We have cloned TTYH1, a human homologue of the Drosophila melanogaster tweety gene. The mouse gene has also been identified. The predicted structure of the protein is a membrane protein with 5 transmembrane domains. We have also expressed a GFP-tagged fusion protein in mouse fibroblasts. Confocal microscopy indicates that this protein is likely to be a novel adhesion molecule, with a cellular distribution characteristic of molecules such as integ ....The role of the Ttyh1 protein in cell activation. We have cloned TTYH1, a human homologue of the Drosophila melanogaster tweety gene. The mouse gene has also been identified. The predicted structure of the protein is a membrane protein with 5 transmembrane domains. We have also expressed a GFP-tagged fusion protein in mouse fibroblasts. Confocal microscopy indicates that this protein is likely to be a novel adhesion molecule, with a cellular distribution characteristic of molecules such as integrins. We aim to determine the function of Ttyh1, its interacting intra- and extra-cellular proteins and to assess its candidature as a molecule of importance in cell migration and adhesion.Read moreRead less
Why is the photosynthetic CO2-fixing enzyme, Rubisco, so inefficient? Dissection of the catalytic chemistry by computational simulation and experimental testing. Fixation of CO2 by the enzyme Rubisco during photosynthesis produces organic compounds which feed all life. Despite this critical role, Rubisco catalyses its reaction sluggishly and, worse, discriminates poorly between CO2 and O2, leading to useless products. Our combined expertise equips us to analyse Rubisco's mechanism using quantum- ....Why is the photosynthetic CO2-fixing enzyme, Rubisco, so inefficient? Dissection of the catalytic chemistry by computational simulation and experimental testing. Fixation of CO2 by the enzyme Rubisco during photosynthesis produces organic compounds which feed all life. Despite this critical role, Rubisco catalyses its reaction sluggishly and, worse, discriminates poorly between CO2 and O2, leading to useless products. Our combined expertise equips us to analyse Rubisco's mechanism using quantum-chemical methods and then test predictions experimentally. We will capitalise on our previous successful studies of Rubisco by addressing emergent issues which are the keys to understanding catalytic efficiency and CO2/O2 selectivity: the roles of a carbamylated lysine; the way CO2 addition is rendered irreversible; and the spin inversion inherent in O2 addition.Read moreRead less
Attention and hazard perception while driving: how experts see the scene. All drivers have 'drifted-off' or failed to see something that was clearly in view, yet trained expert drivers appear to rarely experience this. This project aims to understand in both 'normal' drivers and expert drivers, attentional mechanisms that control distraction and the perception of hazards, which is critical to road safety and young driver training.