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Australian State/Territory : ACT
Research Topic : MATHEMATICAL MODELS
Socio-Economic Objective : Chemical sciences
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  • Funded Activity

    Special Research Initiatives - Grant ID: SR0354741

    Funder
    Australian Research Council
    Funding Amount
    $10,000.00
    Summary
    Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of t .... Quantum Many-Body Systems Network: Breakthrough Science and Frontier Technologies. This Initiative will bring together leading researchers with complementary expertise in mathematics and the enabling sciences to form a Network fostering world leading fundamental research and innovation in quantum many-body systems. The collaborative effort between mathematicians with powerful and sophisticated new techniques and physicists and chemists with deep insight into the challenges and opportunities of the quantum realm will lead to breakthrough science of vital importance to the development of frontier technologies in Australia. This Network will also place a strong emphasis on research training, the mentoring of early career researchers and establishing collaborations with leading international research groups and networks.
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    Funded Activity

    Discovery Projects - Grant ID: DP0558228

    Funder
    Australian Research Council
    Funding Amount
    $233,000.00
    Summary
    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.
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    Funded Activity

    Federation Fellowships - Grant ID: FF0456888

    Funder
    Australian Research Council
    Funding Amount
    $1,519,710.00
    Summary
    Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their .... Self-assembly and complexity: networks and patterns from materials to markets. Self-assembly leads the formation of patterns without external directing agents. It is responsible for the growth of complex multiscale structures found in biology and materials science and is a crucial concept for development of viable nanotechnologies. Complex systems, from biological ecosystems to financial markets and the Internet, are also characterized by spontaneous clustering and linkages that determine their collective behaviour. The project will investigate in detail the geometry, topology, materials science and statistical physics of networks, leading to design and characterization of robust self-assembled materials and complex systems.
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    Funded Activity

    Discovery Projects - Grant ID: DP0662953

    Funder
    Australian Research Council
    Funding Amount
    $365,000.00
    Summary
    Experimental Demonstrations of New Theorems of Nonequilibrium Thermodynamics. In the last decade, two theorems have been proposed to revolutionise the field of thermodynamics. These theorems lift the restriction of the thermodynamic limit, allowing thermodynamic concepts to be applied to small systems such as nanomachines, and characterise systems that may be far-from-equilibrium. These theorems are at odds with a traditional understanding of 19th century thermodynamics where equilibrium is cent .... Experimental Demonstrations of New Theorems of Nonequilibrium Thermodynamics. In the last decade, two theorems have been proposed to revolutionise the field of thermodynamics. These theorems lift the restriction of the thermodynamic limit, allowing thermodynamic concepts to be applied to small systems such as nanomachines, and characterise systems that may be far-from-equilibrium. These theorems are at odds with a traditional understanding of 19th century thermodynamics where equilibrium is central and the Second Law inviolate. However they are critical to the application of thermodynamic concepts to modern systems of the 21st century. Using Optical Tweezers, we will experimentally demonstrate these theorems, present irrefutable evidence of their validity, and demonstrate their application in modern systems.
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    Funded Activity

    Discovery Projects - Grant ID: DP0342706

    Funder
    Australian Research Council
    Funding Amount
    $445,000.00
    Summary
    Experimental Demonstrations of Violations of the Second Law of Thermodynamics. Inventors and engineers strive to scale-down machines, devices and engines to nanometre sizes for a range of technological purposes and scientists investigate protein motors to understand their operation in hopes of modifying their biological behaviour. However, according to a new theorem in Non-equilibrium Statistical Mechanics, there is a fundamental limit to this scaling-down of engines: such nanomachines, includi .... Experimental Demonstrations of Violations of the Second Law of Thermodynamics. Inventors and engineers strive to scale-down machines, devices and engines to nanometre sizes for a range of technological purposes and scientists investigate protein motors to understand their operation in hopes of modifying their biological behaviour. However, according to a new theorem in Non-equilibrium Statistical Mechanics, there is a fundamental limit to this scaling-down of engines: such nanomachines, including protein motors, will run in "reverse" for appreciable amounts of time and in violation of the Second Law of Thermodynamics. We propose to demonstrate this inescapable, operational limit in nanotechnology with experiments using an Optical Tweezers apparatus.
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    Funded Activity

    Discovery Projects - Grant ID: DP0666365

    Funder
    Australian Research Council
    Funding Amount
    $400,000.00
    Summary
    Self-assembled polyphiles: molecular nanopatterns. 21st century technology is certain to rely on advanced materials, utterly new in character, function and manufacturing process. Control of material structure, from the atomic and molecular scales and upward will be a central focus, to engineer specific features from electronic or photonic functionality, to chemical selectivity. The manufacturing principle of biological materials, made routinely in vivo with exquisite economy and control at all l .... Self-assembled polyphiles: molecular nanopatterns. 21st century technology is certain to rely on advanced materials, utterly new in character, function and manufacturing process. Control of material structure, from the atomic and molecular scales and upward will be a central focus, to engineer specific features from electronic or photonic functionality, to chemical selectivity. The manufacturing principle of biological materials, made routinely in vivo with exquisite economy and control at all length scales, will be adopted for materials design. The route to these materials is self-assembly. We will explore in detail theory and practical manufacture of self-assembled nanostructured materials, building molecular honeycombs combining composite material features at the nanoscale.
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    Funded Activity

    ARC Future Fellowships - Grant ID: FT0991709

    Funder
    Australian Research Council
    Funding Amount
    $788,800.00
    Summary
    3D Structure determination of biomacromolecular assemblies from sparse data. This project has direct impact on pharmaceutical research: Biomacromolecular interactions are key points for pharmaceutical intervention and detailed structural knowledge of dynamic protein interactions can significantly accelerate drug development. Australia has invested in expensive instrumentation that can be used with new laboratory methods to obtain information on delicately balanced biomacromolecular interactions, .... 3D Structure determination of biomacromolecular assemblies from sparse data. This project has direct impact on pharmaceutical research: Biomacromolecular interactions are key points for pharmaceutical intervention and detailed structural knowledge of dynamic protein interactions can significantly accelerate drug development. Australia has invested in expensive instrumentation that can be used with new laboratory methods to obtain information on delicately balanced biomacromolecular interactions, and how they malfunction in disease. This project will provide a computational framework to increase the impact of this investment by integrating measurements from a range of novel technologies and developing understanding of changes in structure of large protein complexes in different functional states.
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    Showing 1-7 of 7 Funded Activites

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