Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advanc ....Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advancement of emerging technologies in nanoscience, porous materials, membrane transport and drug design will benefit from this capability. The project therefore addresses the Priority Goal 'Breakthrough science'. A PhD student and an Early Career Research will be trained in research, gaining a range of valuable skills in theory and simulation. Read moreRead less
Soft modes in glasses: chemical control of relaxation and mechanical response. The unusual dynamical and mechanical properties of viscous liquids and glasses underpins many existing and emerging technologies, from lubrication to the strength and fragility of bulk metallic glasses. An improved understanding of how macroscopic properties such as viscous flow, ductility and fracture emerge from the microscopic interactions between atoms and molecules will provide the enabling scientific knowledge f ....Soft modes in glasses: chemical control of relaxation and mechanical response. The unusual dynamical and mechanical properties of viscous liquids and glasses underpins many existing and emerging technologies, from lubrication to the strength and fragility of bulk metallic glasses. An improved understanding of how macroscopic properties such as viscous flow, ductility and fracture emerge from the microscopic interactions between atoms and molecules will provide the enabling scientific knowledge for exploiting the properties of such materials on the nanoscale. National expertise in this area will help establish and strengthen international collaboration with leading research institutes in the field.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE100100108
Funder
Australian Research Council
Funding Amount
$175,000.00
Summary
Ultra-high frequency non-contact vibrometry equipment for biomicrofluidics metrology. This equipment will enable experimental vibration measurement up to an unprecedented one billion cycles per second of motion smaller than the width of a helium atom (20 femtometres). Understanding and harnessing the phenomena unique to this regime, especially very large accelerations surpassing one billion times the acceleration of gravity, will enable the development of rapid protein crystallisation techniques ....Ultra-high frequency non-contact vibrometry equipment for biomicrofluidics metrology. This equipment will enable experimental vibration measurement up to an unprecedented one billion cycles per second of motion smaller than the width of a helium atom (20 femtometres). Understanding and harnessing the phenomena unique to this regime, especially very large accelerations surpassing one billion times the acceleration of gravity, will enable the development of rapid protein crystallisation techniques and constant-temperature organic chemical reaction enhancement for rapid development of new drugs, new devices for measuring the profile of surfaces at video speeds (videoAFM), new micro- and nano-devices for fluid pumping, mixing, colloidal separation and concentration, and new autonomous nanorobots for non-invasive microsurgery.Read moreRead less
Statistical Mechanics of Classical Glasses. Glasses and ceramics can possess a combination of properties not available in other materials and thus they are of technological importance with rapidly developing applications. However a fundamental theoretical basis for describing these systems has been missing. The reason for this is that glasses are not in thermodynamic equilibrium, so the standard tools of equilibrium statistical mechanics cannot be rigorously applied . This project will make an i ....Statistical Mechanics of Classical Glasses. Glasses and ceramics can possess a combination of properties not available in other materials and thus they are of technological importance with rapidly developing applications. However a fundamental theoretical basis for describing these systems has been missing. The reason for this is that glasses are not in thermodynamic equilibrium, so the standard tools of equilibrium statistical mechanics cannot be rigorously applied . This project will make an important contribution towards building a strong local knowledge base by addressing the problem of understanding the glassy state. The knowledge base can then serve as a springboard for possible high tech applications in materials science and engineering.Read moreRead less
Maximizing solid state Nuclear Magnetic Resonance (NMR) with maximum entropy. Nuclear magnetic resonance is an essential technology for the characterisation of important industrial and biomedical molecules, molecular chains and complexes. This project aims to considerably expand the fundamental capability of experimental techniques for the study of materials in the solid state, in particular for a new class of biological nanoparticle. These advances will have important global implications for re ....Maximizing solid state Nuclear Magnetic Resonance (NMR) with maximum entropy. Nuclear magnetic resonance is an essential technology for the characterisation of important industrial and biomedical molecules, molecular chains and complexes. This project aims to considerably expand the fundamental capability of experimental techniques for the study of materials in the solid state, in particular for a new class of biological nanoparticle. These advances will have important global implications for research into life-saving therapeutic strategies aimed at many pharmaceutical targets embedded in cell membranes, protein misfolding disorders such as Alzheimer's disease and Huntington's disease, as well as development of the next generation of "green" plastics and other advanced polymers.Read moreRead less
Ionic Dispersion Forces in Physical Chemistry: Implications for pH, Electrochemistry, Nanoparticle Formation and Organic Synthesis. Our current understanding of charged systems in solution is deeply flawed . Existing theories are not predictive, mainly because they concentrate entirely on electrostatics. This proposal aims to partially rectify this by including the effects of previously neglected dispersion forces in a number of problems. These forces are responsible for much of the behaviou ....Ionic Dispersion Forces in Physical Chemistry: Implications for pH, Electrochemistry, Nanoparticle Formation and Organic Synthesis. Our current understanding of charged systems in solution is deeply flawed . Existing theories are not predictive, mainly because they concentrate entirely on electrostatics. This proposal aims to partially rectify this by including the effects of previously neglected dispersion forces in a number of problems. These forces are responsible for much of the behaviour seen in the following systems: the theory of electrolytes; electrochemistry pH and buffers; self energy effects in organic chemistry; and zeolite and nano-particle synthesis. The main outcome will be accurate and predictive theories for these systems.Read moreRead less
Theory and application of computer-intensive, nonparametric statistical methods. The availability of increasingly powerful computing equipment continues to have a dramatic impact on statistical methods and thinking. These developments, combined with new technologies for generating data, are driving substantial changes in statistics, ranging from the types of problems being solved to the sorts of methods used to solve them. Both the problems and their solutions are of substantial national and c ....Theory and application of computer-intensive, nonparametric statistical methods. The availability of increasingly powerful computing equipment continues to have a dramatic impact on statistical methods and thinking. These developments, combined with new technologies for generating data, are driving substantial changes in statistics, ranging from the types of problems being solved to the sorts of methods used to solve them. Both the problems and their solutions are of substantial national and community benefit. They will be the subject of high-level research supported by this proposal. Read moreRead less
Physics of Risk: new tools to survey the Australian market and beyond. The lives of most Australians depend on the dynamics of financial markets that affects investments, savings, business, employment, growth, wealth and -ultimately- the daily functioning of our society. Understanding, monitoring and managing the dynamics of financial markets is of crucial importance to policy-makers, financial institutions and businesses that are increasingly faced with managing risk, planning strategies and ta ....Physics of Risk: new tools to survey the Australian market and beyond. The lives of most Australians depend on the dynamics of financial markets that affects investments, savings, business, employment, growth, wealth and -ultimately- the daily functioning of our society. Understanding, monitoring and managing the dynamics of financial markets is of crucial importance to policy-makers, financial institutions and businesses that are increasingly faced with managing risk, planning strategies and taking decisions in an increasingly complex market-place. The project is also of importance to the continued evolution of physics in this country contributing to the emergence of a strong new area of statistical physics concerned with the ?real world? in a manner hitherto unknown.Read moreRead less
Nonparametric Statistical Methods -- New Directions, Theory and Applications. The research program will take Australia to the forefront of contemporary work in nonparametric statistics, and assist greatly in the training of a new generation of Australian statistical scientists. It will contribute significantly to restoring the health of this strategically important field, in Australian universities and in the nation more generally. The projects outlined in the proposal address problems arising ....Nonparametric Statistical Methods -- New Directions, Theory and Applications. The research program will take Australia to the forefront of contemporary work in nonparametric statistics, and assist greatly in the training of a new generation of Australian statistical scientists. It will contribute significantly to restoring the health of this strategically important field, in Australian universities and in the nation more generally. The projects outlined in the proposal address problems arising in astronomy, economics, engineering, defence, health and image analysis, but the potential areas of impact are broader even than this. This diversity illustrates the extraordinary potential, and strategic significance, of statistics to Australia. Read moreRead less
Computational Nanofluidics. This project will generate an increased level of skill and expertise in Australia in the emerging science of nanotechnology. To realise the promise of nanotechnology, a means of controlled propulsion on the nano scale is vital. A deeper understanding of nanofluidics that allows greater predictive capacities can greatly aid this realisation. It is highly likely that computational nanofluidics will play as important a role in nanotechnology based industries as computat ....Computational Nanofluidics. This project will generate an increased level of skill and expertise in Australia in the emerging science of nanotechnology. To realise the promise of nanotechnology, a means of controlled propulsion on the nano scale is vital. A deeper understanding of nanofluidics that allows greater predictive capacities can greatly aid this realisation. It is highly likely that computational nanofluidics will play as important a role in nanotechnology based industries as computational fluid dynamics (CFD) currently plays in today's manufacturing, automotive and aerospace industries. The skills and knowledge gained from this project will enhance our international competitiveness in this area. Read moreRead less