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Field of Research : Quantum Chemistry
Scheme : Linkage Projects
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  • Researchers (38)
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  • Funded Activity

    Linkage Projects - Grant ID: LP0455238

    Funder
    Australian Research Council
    Funding Amount
    $1,050,000.00
    Summary
    Development of a molecular flash memory for long-term, extremely high-capacity, unpowered data storage. This collaborative project with INTEL will demonstrate an array of Flash-RAM molecular-memory cells capable, at room temperature, of storing a terabit of data on an area of 2 square mm. This data density is more than four orders of magnitude greater than any commercially available technology and unattainable by conventional silicon-based electronics. We will design and optimize the memory cel .... Development of a molecular flash memory for long-term, extremely high-capacity, unpowered data storage. This collaborative project with INTEL will demonstrate an array of Flash-RAM molecular-memory cells capable, at room temperature, of storing a terabit of data on an area of 2 square mm. This data density is more than four orders of magnitude greater than any commercially available technology and unattainable by conventional silicon-based electronics. We will design and optimize the memory cell, develop the synthesis method, synthesize arrays of the memory cells, and develop new molecular addressing technologies.
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    Funded Activity

    Linkage Projects - Grant ID: LP0347178

    Funder
    Australian Research Council
    Funding Amount
    $498,000.00
    Summary
    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.
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    Funded Activity

    Linkage Projects - Grant ID: LP0562384

    Funder
    Australian Research Council
    Funding Amount
    $945,000.00
    Summary
    Inception of a Practical, Biomimetic, Flexible Photovoltaic Device. This project will design and synthesise new, complex, functional organic molecules and assemble them to create a new type of photovoltaic cell. This device will be designed using biomimetic principles to emulate many of the efficient photosynthetic solar energy conversion processes that occur in plants. A key feature is that near atomic-level control will be achieved over the entire device structure, facilitating the establish .... Inception of a Practical, Biomimetic, Flexible Photovoltaic Device. This project will design and synthesise new, complex, functional organic molecules and assemble them to create a new type of photovoltaic cell. This device will be designed using biomimetic principles to emulate many of the efficient photosynthetic solar energy conversion processes that occur in plants. A key feature is that near atomic-level control will be achieved over the entire device structure, facilitating the establishment of a clear path towards the commercial production of solar cells that are simultaneously highly efficient, long lasting, flexible, and very cheap to manufacture.
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    Funded Activity

    Linkage Projects - Grant ID: LP0774896

    Funder
    Australian Research Council
    Funding Amount
    $240,000.00
    Summary
    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.
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    Funded Activity

    Linkage Projects - Grant ID: LP0347964

    Funder
    Australian Research Council
    Funding Amount
    $112,500.00
    Summary
    Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify .... Electronic and Optical Properties of Doped Titanium Dioxide. Titanium dioxide, is widely used as a white pigment, owing to its high refractive index, second, only after diamond. Yellowing of rutile pigment particles, observed on prolonged exposure to sunlight, is a serious problem that pigment manufacturers would like to overcome. It is proposed that aluminium-doping of rutile limits this discolouration by altering the electronic structure of the rutile particles. This project seeks to identify the specific electronic cause of the yellowing process, the nature of the Al defect,it's effect on the electronic structure of rutile, and the electronic perturbations that may occur when other dopants are used.
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