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.
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
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0347582
Funder
Australian Research Council
Funding Amount
$500,000.00
Summary
South Australian Supercomputing Facility. This grant will fund the construction and installation of a state-of-the-art, heterogeneous supercomputing facility to be named the "South Australian Supercomputing Facility". The facility will be available to all of the State's academic and industrial researchers with advanced high-performance computing needs in a transparent and equitable way. Areas of research excellence to be supported by the facility include but are not limited to: research in comp ....South Australian Supercomputing Facility. This grant will fund the construction and installation of a state-of-the-art, heterogeneous supercomputing facility to be named the "South Australian Supercomputing Facility". The facility will be available to all of the State's academic and industrial researchers with advanced high-performance computing needs in a transparent and equitable way. Areas of research excellence to be supported by the facility include but are not limited to: research in computational physics, computational chemistry, geophysics, computational fluid dynamics, oil and water resource modelling, plant science, bio-informatics, space-environment research, and high-performance, parallel, and grid-based computing.Read moreRead less
Simulation of ligand binding-induced conformational changes in biological systems. This project is focused on the development of a methodology that will allow using molecular dynamics simulations to study fundamental biochemical reactions. The benefits to the Australian community are two fold: i) the software developed will be made available to the whole scientific community through peer-reviewed publication. Australian researchers will have the possibility to exploit the software in advance thr ....Simulation of ligand binding-induced conformational changes in biological systems. This project is focused on the development of a methodology that will allow using molecular dynamics simulations to study fundamental biochemical reactions. The benefits to the Australian community are two fold: i) the software developed will be made available to the whole scientific community through peer-reviewed publication. Australian researchers will have the possibility to exploit the software in advance through collaborations with our research group. ii) During this collaboration Australian PhD students will have the opportunity to spend a few months overseas to learn about the most advanced computational techniques and interact with top researchers in the computational chemistry field.Read moreRead less
Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the pre ....Modelling of Adsorption Dynamics in Microporous Adsorbents Using Fractional Order Diffusion Equations. This project investigates the use of fractional order diffusion equations in modelling adsorption dynamics in microporous carbons. The long tail behaviour of adsorption processes cannot be readily explained by the classical second order Fickian model, and makes adsorption a candidate for the use of fractional order diffusion equations that have the potential to model such features. In the present project we shall develop suitable numerical techniques for solving the fractional order diffusion model, and apply these to the interpretation of experimental kinetic data. The outcome will be an improved model of adsorption dynamics considering the fractal nature of the solid.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0454008
Funder
Australian Research Council
Funding Amount
$340,962.00
Summary
Multi-function high resolution-analytical scanning electron microscope facility. The aim of this proposal is to establish a high resolution electron microscope facility as part of a comprehensive materials characterisation infrastructure required to support Swinburne's expanding activities in nanotechnology. A high resolution SEM in conjunction with an upgrade of the current SEM will provide advanced instrumentation for nanoscale imaging, analysis and manipulation of materials. The proposed faci ....Multi-function high resolution-analytical scanning electron microscope facility. The aim of this proposal is to establish a high resolution electron microscope facility as part of a comprehensive materials characterisation infrastructure required to support Swinburne's expanding activities in nanotechnology. A high resolution SEM in conjunction with an upgrade of the current SEM will provide advanced instrumentation for nanoscale imaging, analysis and manipulation of materials. The proposed facility will create new opportunities for collaborative programs with local and overseas researcher and will facilitate rapid progress in research programs across the entire University in particular those related to two ARC Centres of Excellence in which the University is a core partner.Read moreRead less
Synthetic derivatives of capsaicin and gingerols as analgesics acting at the vanilloid receptor. This project aims to prepare alpha-hydroxyketones and gingerol derivatives acting at vanilloid (VR1) receptor with potential analgesic activity. These compounds will be tested for their ability to activate the VR1 receptor, desensitize the receptor and release neuropeptides associated with pain pathways. The development of these novel compounds will contribute towards understanding the mechanisms of ....Synthetic derivatives of capsaicin and gingerols as analgesics acting at the vanilloid receptor. This project aims to prepare alpha-hydroxyketones and gingerol derivatives acting at vanilloid (VR1) receptor with potential analgesic activity. These compounds will be tested for their ability to activate the VR1 receptor, desensitize the receptor and release neuropeptides associated with pain pathways. The development of these novel compounds will contribute towards understanding the mechanisms of VR1 receptor activation and provide information on how the VR1 receptor is regulated. We will determine and compare neurotoxicity of these compounds to capsaicin which is known to possess neurotoxic activity. The outcome of this project may result in effective agents for better pain management.
Read moreRead less
Cellular and network basis of information processing in the mammalian visual system. The project aims to discover the strategies by which cells in the brain interact with each other to code the sensory input efficiently. It is expected that simultaneous recording of the activity of many neurones from the visual cortex of anaesthetised cats during visual stimulation will reveal how the biophysics of synaptic integration combined with excitatory and inhibitory inputs from different sources sculpt ....Cellular and network basis of information processing in the mammalian visual system. The project aims to discover the strategies by which cells in the brain interact with each other to code the sensory input efficiently. It is expected that simultaneous recording of the activity of many neurones from the visual cortex of anaesthetised cats during visual stimulation will reveal how the biophysics of synaptic integration combined with excitatory and inhibitory inputs from different sources sculpts the output of individual neurones. The experiments will be extended to the study of possible interactions between different areas of the brain and the study of mechanisms by which the cortical network and higher cognitive factors such as attention and memory might influence the coding of sensory information in awake animals.Read moreRead less
Nano-Engineering of Optical Fibre Fresnel Lenses. It is expected that the development of the Fresnel Lens Fibre will greatly enhance the simplicity with which fibres can be integrated into a variety of systems. An intrinsically focussing fibre will be cheap to produce and have significant size advantages over its competitors, thus giving it an excellent competitive advantage in the market place. Australia is home to a number of companies that would directly benefit from the commercialisation of ....Nano-Engineering of Optical Fibre Fresnel Lenses. It is expected that the development of the Fresnel Lens Fibre will greatly enhance the simplicity with which fibres can be integrated into a variety of systems. An intrinsically focussing fibre will be cheap to produce and have significant size advantages over its competitors, thus giving it an excellent competitive advantage in the market place. Australia is home to a number of companies that would directly benefit from the commercialisation of a Fresnel Lens Fibre. In addition to a range of possible telecommunications applications, the focussing fibre also has applications in spectroscopy, minimally invasive surgical procedures, and especially in the field of photodynamic therapy. Read moreRead less
Fractal Based Index Profiles for a New Class of Optical Fibre. Australia has a strong base in photonics serving technological advanced areas of perimeter security, minimally invasive surgical applications, high resolution imaging and optical sensing . Our photonic companies need novel fibre optic advances to stay competitive internationally in order to open new marketing opportunities being driven by market pull. The present innovation will add single fibre solution, fractal based technology, an ....Fractal Based Index Profiles for a New Class of Optical Fibre. Australia has a strong base in photonics serving technological advanced areas of perimeter security, minimally invasive surgical applications, high resolution imaging and optical sensing . Our photonic companies need novel fibre optic advances to stay competitive internationally in order to open new marketing opportunities being driven by market pull. The present innovation will add single fibre solution, fractal based technology, an Australian scientific advance, to the range of technologies supporting our advanced materials-photonic companies.Read moreRead less