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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
Noncommutative geometry and applications. Noncommutative geometry is a new field of mathematical research having its origins in quantum mechanics. The main feature of this theory is that it deals with geoemtric and topological aspects of objects for which the order in which we make measurements or perform operations or observations is relevant to the outcome. This happens with microscopic systems especially those at the atomic or subatomic length scale. The methods have been motivated by and fou ....Noncommutative geometry and applications. Noncommutative geometry is a new field of mathematical research having its origins in quantum mechanics. The main feature of this theory is that it deals with geoemtric and topological aspects of objects for which the order in which we make measurements or perform operations or observations is relevant to the outcome. This happens with microscopic systems especially those at the atomic or subatomic length scale. The methods have been motivated by and found application in condensed matter physics, string theory, random media, algebraic structures and the geometry and topology of manifoldsRead moreRead less
Optical circuits for quantum non-locality with single photons. This collaborative project between the University of Queensland and Hokkaido University will investigate fundamental aspects of quantum mechanics concerned with non-locality. The results will have direct relevance to the emerging field of quantum technology - new technologies based exploiting the quantum mechanical nature of physical systems. Through the collaboration Australia will gain access to world-class single photon generation ....Optical circuits for quantum non-locality with single photons. This collaborative project between the University of Queensland and Hokkaido University will investigate fundamental aspects of quantum mechanics concerned with non-locality. The results will have direct relevance to the emerging field of quantum technology - new technologies based exploiting the quantum mechanical nature of physical systems. Through the collaboration Australia will gain access to world-class single photon generation facilities that will be replicated here. A strong link between Japanese and Australian researchers, including students, will be formed.Read moreRead less
Multiple atomic photoionization in superstrong electromagnetic field. Correlation, or entanglement, of electrons in matter governs many important phenomena in nature, such as chemical reactions, superconductivity and ferromagnetism. However, it is the many-electron processes in atoms which allow the study of electron correlations most clearly. In this project we will investigate such a process of two-electron atomic photoionization by an intense laser pulse. We will combine advanced theoretical ....Multiple atomic photoionization in superstrong electromagnetic field. Correlation, or entanglement, of electrons in matter governs many important phenomena in nature, such as chemical reactions, superconductivity and ferromagnetism. However, it is the many-electron processes in atoms which allow the study of electron correlations most clearly. In this project we will investigate such a process of two-electron atomic photoionization by an intense laser pulse. We will combine advanced theoretical and experimental tools with the aim of understanding how the electron correlation interplays with the superstrong electromagnetic field. This will provide insight into fundamental processes of interaction of intense laser pulses with matter which are important in a wide range of applications.Read moreRead less
The effect of diffusive mass transfer on interfacial fluid instabilities. A wide variety of industrial and physiological fluid flows fall into the general class of two-layer fluids wherein a fluid of one density/viscosity flows over another of a different density/viscosity. Such flows can ultimately become turbulent (that is, chaotic) through the growth of small background disturbances. An understanding of this process is important in controlling fluid dynamical mixing. This project will conside ....The effect of diffusive mass transfer on interfacial fluid instabilities. A wide variety of industrial and physiological fluid flows fall into the general class of two-layer fluids wherein a fluid of one density/viscosity flows over another of a different density/viscosity. Such flows can ultimately become turbulent (that is, chaotic) through the growth of small background disturbances. An understanding of this process is important in controlling fluid dynamical mixing. This project will consider two layer flows in the case when diffusive mass transfer acts at the fluid interface with the aim of determining how diffusion affects the process of transition-to-turbulence.Read moreRead less
Low-order dynamical models for non-linear fluid behaviour in quasi two-dimensional plasmas. Two complex systems in which a magnetic field imposes two-dimensional fluid motions are turbulent fusion plasmas and magnetospheric plasmas. A distinctive property of 2D flows is the inverse energy cascade, whereby energy streaming into large-scale vortices, coherent structures, or sheared flows gives a remarkable propensity for self-organizing behaviour. This can be exploited to govern or guide our respo ....Low-order dynamical models for non-linear fluid behaviour in quasi two-dimensional plasmas. Two complex systems in which a magnetic field imposes two-dimensional fluid motions are turbulent fusion plasmas and magnetospheric plasmas. A distinctive property of 2D flows is the inverse energy cascade, whereby energy streaming into large-scale vortices, coherent structures, or sheared flows gives a remarkable propensity for self-organizing behaviour. This can be exploited to govern or guide our response to such systems. We propose to investigate the dynamics of momentum and energy exchange in these plasmas, using reduced dynamical models and bifurcation and stability mathematics. Expected outcomes are improved prediction of magnetospheric substorms and confinement of fusion plasmas.
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Physical factors affecting deposition of combustion submicrometer particles in the human lung. Particles generated from combustion sources have a profound effect on human health, yet there is lack of scientific understanding of the role of different physical mechanisms on particle deposition in the lung. This program will advance scientific knowledge in this field through multidisciplinary efforts of a team from QUT and the University of Salzburg, Austria. It aims at quantification of particle d ....Physical factors affecting deposition of combustion submicrometer particles in the human lung. Particles generated from combustion sources have a profound effect on human health, yet there is lack of scientific understanding of the role of different physical mechanisms on particle deposition in the lung. This program will advance scientific knowledge in this field through multidisciplinary efforts of a team from QUT and the University of Salzburg, Austria. It aims at quantification of particle deposition in human lung through experimental studies and advanced modelling. The program will enhance and strengthen the existing collaboration between the universities and its outcome will be of significance in the vital area of human health and risk assessment.Read moreRead less
Synthetic and theoretical studies of metal complexes containing carbon-rich ligands. Previous studies in my group, in conjunction with synthetic and theoretical chemistry groups at the Université de Rennes 1, France, have delineated the properties of a series of complexes containing carbon chains linking two metal centres. Having achieved a partial understanding of the features which result in good electronic communication between the metal centres via the carbon chain, the present proposal see ....Synthetic and theoretical studies of metal complexes containing carbon-rich ligands. Previous studies in my group, in conjunction with synthetic and theoretical chemistry groups at the Université de Rennes 1, France, have delineated the properties of a series of complexes containing carbon chains linking two metal centres. Having achieved a partial understanding of the features which result in good electronic communication between the metal centres via the carbon chain, the present proposal seeks to extend this collaboration to further studies which will generate related compounds in which actual eletron exchange can occur, i.e. leading to oxidation/reduction, by using compounds in which two or more different metal centres are present. This may lead to development of nano devices, e.g. molecular-scale switches. If one of the centres is activated by light, a photo-active sensor may result.Read moreRead less
New frontiers in statistical mechanics. The chiral Potts model has been introduced in 1981 as a model for commensurate-incommensurate phase transitions in a layer of atoms or molecules adsorbed to a solid surface. If the adsorbed atoms all fit to holes between the surface atoms, the added layer is frozen, commensurate with the surface. If the added atoms are unable to fit holes, the added layer is no longer commensurate with the surface and could be in a floating state. A deeper understanding of ....New frontiers in statistical mechanics. The chiral Potts model has been introduced in 1981 as a model for commensurate-incommensurate phase transitions in a layer of atoms or molecules adsorbed to a solid surface. If the adsorbed atoms all fit to holes between the surface atoms, the added layer is frozen, commensurate with the surface. If the added atoms are unable to fit holes, the added layer is no longer commensurate with the surface and could be in a floating state. A deeper understanding of this and similar phenomena in layered systems has nanotechnological implications. This may affect the design of new small electronic devices or could apply to small biological systems and the development of new medicines. The project will surely lead to new applicable mathematics.Read moreRead less
Control of Transitions in Wakes and Swirling Flows. We will attack industrially-important problems in fluid mechanics by building new, and substantially enhancing existing, international collaborations between key complementary teams of internationally-recognised French and Australian researchers. Funding will support the exchange of 6 senior staff and 3 graduate students, which, in turn, will measurably benefit the research output of a further 20 graduate students and 7 post-doctoral fellows as ....Control of Transitions in Wakes and Swirling Flows. We will attack industrially-important problems in fluid mechanics by building new, and substantially enhancing existing, international collaborations between key complementary teams of internationally-recognised French and Australian researchers. Funding will support the exchange of 6 senior staff and 3 graduate students, which, in turn, will measurably benefit the research output of a further 20 graduate students and 7 post-doctoral fellows associated with closely-related projects. From the Australian perspective, the planned exchanges will bring new research expertise, knowledge and skills, which will be focussed on a diverse range of applications. Target industries (with existing collaborations) include Airbus and Dassault Aviation in Europe, and Aerosonde and Warman pumps in Australia. Read moreRead less