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
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
Advanced numerical and analytical techniques for exact studies in combinatorics and statistical mechanics. Exactly solved models are of immense importance in all areas of the theoretical sciences and play important roles in our understanding of complex natural and social phenomena. This project aims to develop powerful new methods that will enable mathematicians and physicists to greatly expand the types of models for which we can find a solution.
Transformative simulation techniques for complex polymer networks. The study of long chain polymers like DNA using computer simulations has uncovered exciting insights over many years. Generally these have been limited to simple topologies, interactions, and environments. This project aims to develop the next generation of simulation techniques to tackle a new frontier of polymer models, including those with complex topologies like stars, knots, and links, which have hitherto been inaccessible. ....Transformative simulation techniques for complex polymer networks. The study of long chain polymers like DNA using computer simulations has uncovered exciting insights over many years. Generally these have been limited to simple topologies, interactions, and environments. This project aims to develop the next generation of simulation techniques to tackle a new frontier of polymer models, including those with complex topologies like stars, knots, and links, which have hitherto been inaccessible. Expected outcomes include new simulation methods which harness modern computational clusters, leading to greater understanding of polymers with complex topologies and in complicated environments. Important elements of biological processes may be discovered, such as how polymer structure affects DNA transcription.Read moreRead less
Molecular design of complex lubricants to reduce friction. We will investigate the molecular level design of friction modifiers for a new generation of industrial lubricants. The goal is to dramatically reduce friction between moving mechanical parts, hence increasing energy efficiency in machines and reducing global greenhouse gas emissions. We will design and test these new friction modifiers by a combination of theoretical and computational methods based in statistical mechanics and nonequili ....Molecular design of complex lubricants to reduce friction. We will investigate the molecular level design of friction modifiers for a new generation of industrial lubricants. The goal is to dramatically reduce friction between moving mechanical parts, hence increasing energy efficiency in machines and reducing global greenhouse gas emissions. We will design and test these new friction modifiers by a combination of theoretical and computational methods based in statistical mechanics and nonequilibrium molecular dynamics and directly compare results with experimental measurements. Our investigations will pave the way to develop new cost-effective friction modifiers without the need for traditional and costly trial and error laboratory based experimentation.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE210100256
Funder
Australian Research Council
Funding Amount
$415,283.00
Summary
Extracting the hidden structure of glass from particle vibrations. Predicting the rigid behaviour of glass from its disordered, amorphous atomic structure remains a challenge in materials science. This project aims to define an innovative measure of structure based on how constrained each particle is, which can be quantified by measuring the particles’ vibrations. Using this new measure of structure, this project expects to link the microscopic structure of glass to its macroscopic properties v ....Extracting the hidden structure of glass from particle vibrations. Predicting the rigid behaviour of glass from its disordered, amorphous atomic structure remains a challenge in materials science. This project aims to define an innovative measure of structure based on how constrained each particle is, which can be quantified by measuring the particles’ vibrations. Using this new measure of structure, this project expects to link the microscopic structure of glass to its macroscopic properties via computer simulations. Expected outcomes of this project include a new methodology for characterising amorphous materials and an improved understanding of the nature of glass. This should provide significant benefits, such as an increased ability to rationally design amorphous materials with desired properties.Read moreRead less
Characteristic polynomials in random matrix theory. Random matrix theory is the subject of an active international research effort, due to its broad range of applications including the statistical analysis of high-dimensional data sets, wireless communication, and the celebrated Riemann zeros in prime number theory. Characteristic polynomials will be used to focus an attack on these problems.
Design, analysis and application of Monte Carlo methods in statistical mechanics. Statistical mechanics is a general framework for studying complex systems and Monte Carlo methods are an important computational tool in such studies. This project will develop new, vastly more efficient, Monte Carlo methods for problems in statistical mechanics, and will apply these methods to real-world problems such as urban traffic flow.
A synthesis of random matrix theory for applications in mathematics, physics and engineering. Random matrix theory, matrix theory where the elements are random, or the matrix chosen from an ensemble, is driven by its ever expanding range of applications, and the richness of the mathematics being uncovered. These applications include topics of acknowledged modern day importance, for example quantum information theory, wireless communication, data analysis, signal processing and the study of algor ....A synthesis of random matrix theory for applications in mathematics, physics and engineering. Random matrix theory, matrix theory where the elements are random, or the matrix chosen from an ensemble, is driven by its ever expanding range of applications, and the richness of the mathematics being uncovered. These applications include topics of acknowledged modern day importance, for example quantum information theory, wireless communication, data analysis, signal processing and the study of algorithms. Buoyed by promising preliminary investigations, this project aims to draw together seemingly disparate techniques to tackle problems from such topics. In addition to providing solutions to these problems, these methods are expected to provide inspiration for fellow researchers.Read moreRead less
Design, analysis and application of Monte Carlo algorithms in statistical mechanics. Monte Carlo methods provide a powerful computational tool with an enormous range of applications. However when applied in statistical mechanics they typically suffer from severe critical slowing-down, so that their computational efficiency tends rapidly to zero as a critical point is approached. We will develop novel, more efficient Monte Carlo algorithms, to simulate a range of models in statistical mechanics a ....Design, analysis and application of Monte Carlo algorithms in statistical mechanics. Monte Carlo methods provide a powerful computational tool with an enormous range of applications. However when applied in statistical mechanics they typically suffer from severe critical slowing-down, so that their computational efficiency tends rapidly to zero as a critical point is approached. We will develop novel, more efficient Monte Carlo algorithms, to simulate a range of models in statistical mechanics and back this up with rigorous mathematical analysis proving that their results can be trusted.Read moreRead less