Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA ....Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA and block transcription and the role various transition metals such as Cu(II) and Zn(II) stabilize the conformations of peptides involved in Alzheimer's disease. In addition by greatly expanding the range of systems that can be modeled efficiently the work will have widespread benefits in academic research as well as for industry.Read moreRead less
Development of methodology for high throughput free energy calculations in drug design applications. The aim of the project is to develop a high throughput computational screening protocol for use in fragment-based drug design. The method will have universal applications to any plausible and available drug targets. The method will accelerate drug discovery on the targets associated with diabetes, obesity, dengue, skin cancer, etc., which are the primary disease focus of Australia. Australia as a ....Development of methodology for high throughput free energy calculations in drug design applications. The aim of the project is to develop a high throughput computational screening protocol for use in fragment-based drug design. The method will have universal applications to any plausible and available drug targets. The method will accelerate drug discovery on the targets associated with diabetes, obesity, dengue, skin cancer, etc., which are the primary disease focus of Australia. Australia as a whole and the University of Queensland in particular have invested heavily in various drug discovery programs, this will be of direct benefit to the ongoing research within Australia.Read moreRead less
Entanglement as resource for quantum technology. This project focuses on groundbreaking research in quantum information theory, an exciting new area of fundamental physics that underpins the development of quantum technologies. Australia has already invested heavily in one particular quantum technology: computation. Our project, if successful, will enable an Australian research effort into other quantum technologies for communication, metrology, data storage and security. This project will as ....Entanglement as resource for quantum technology. This project focuses on groundbreaking research in quantum information theory, an exciting new area of fundamental physics that underpins the development of quantum technologies. Australia has already invested heavily in one particular quantum technology: computation. Our project, if successful, will enable an Australian research effort into other quantum technologies for communication, metrology, data storage and security. This project will assist in elevating Australia to a major international research centre in quantum information theory, complementing its existing strength in experiment, and will provide extensive training of early career researchers.Read moreRead less
Quantum steering, nonlocality and foundations. This project aims at answering foundational questions that will help further our understanding of quantum mechanics---a scientific discipline with proven track record of technological output of great impact in modern society and a huge potential for future developments such as quantum computation and communication. There is a global trend towards interest in quantum foundations, and Australia is already a world leader in the closely related fields o ....Quantum steering, nonlocality and foundations. This project aims at answering foundational questions that will help further our understanding of quantum mechanics---a scientific discipline with proven track record of technological output of great impact in modern society and a huge potential for future developments such as quantum computation and communication. There is a global trend towards interest in quantum foundations, and Australia is already a world leader in the closely related fields of quantum information and quantum-atom optics. Funding of this project will help strengthen and consolidate Australia's position as a world leader in the foundations of quantum mechanics.Read moreRead less
New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex r ....New Methods in the Theory and Computational Modelling of Unimolecular and Complex-Forming Bimolecular Reactions. This project will develop new theory and computational methods for the prediction of chemical reaction rates with massively increased efficiency. Complex reactions occurring in combustion which are surprisingly common, but have previously been only poorly understood. The project will make possible the application of detailed statistical and quantum dynamical theories to such complex reactions in order to improve the quality of chemical data which is used for modelling atmospheric change and pollution.
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Optical realisations of continuous-variable quantum information. The project aims to develop a framework for optical realisations of continuous-variable quantum information. Such realisations offer the potential for major technological advances in quantum information processing in the near future, but are currently impeded by the lack of a well-defined theoretical foundation. This project aims to construct such a foundation, including energy cutoffs, detector resolution, and finite resources. ....Optical realisations of continuous-variable quantum information. The project aims to develop a framework for optical realisations of continuous-variable quantum information. Such realisations offer the potential for major technological advances in quantum information processing in the near future, but are currently impeded by the lack of a well-defined theoretical foundation. This project aims to construct such a foundation, including energy cutoffs, detector resolution, and finite resources. Feasible experiments to test and exploit continuous-variable quantum information processing will be proposed. The resulting framework will allow the field to progress beyond proof-of-principle demonstrations and to develop new, technology-driven quantum information protocols.Read moreRead less
To identify and to understand highly reactive surfaces for solar hydrogen production. This project aims to develop advanced technology to produce hydrogen - carbon-free fuel - from water with sunlight as the only energy input. Using clean energy to replace fossil fuels can help address the issues of energy supply and reduce carbon emissions, which is critically important for a sustainable Australia.
Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledg ....Function, Mechanism and Dynamics in Fluorescent Proteins: a Computational Investigation. The rich reservoir of chromoproteins and fluorescent proteins in the ecosystem of the Great Barrier Reef offers Australia a unique natural advantage for the development of a niche biotechnology industry based on fluorescent markers for cellular biology and biomedical imaging. This project provides a crucial component of the science that is necessary for developing such an industry: a molecular-level knowledge of how these proteins function and how we can manipulate and enhance their properties as imaging agents. It will achieve fundamental advances in biomolecular modelling techniques, train graduates with exceedingly valuable skill sets as well as deriving knowledge that aids the development of Australia's biotech industries.Read moreRead less
Quantum Integrable Systems and Applications: From Condensed Matter to Quantum Information. Quantum integrable systems have produced exciting results and techniques vital in the efforts to achieve the ultimate goal of understanding quantum science beyond perturbation. The proposal gathers four world experts from Australia, Japan and Russia to work on highly interdisciplinary projects designed to resolve fundamental problems in the field, which will underpin the development of emerging technologie ....Quantum Integrable Systems and Applications: From Condensed Matter to Quantum Information. Quantum integrable systems have produced exciting results and techniques vital in the efforts to achieve the ultimate goal of understanding quantum science beyond perturbation. The proposal gathers four world experts from Australia, Japan and Russia to work on highly interdisciplinary projects designed to resolve fundamental problems in the field, which will underpin the development of emerging technologies. As a result, Australian science will be seen to be at the forefront internationally, and the leading status of Australia in the field will be greatly strengthened. Early career researchers and PhD students will be trained as part of the project, important in enhancing Australia's capability to develop and retain scientific talent. Read moreRead less
ARC Complex Open Systems Research Network. Complexity is the common frontier in the physical, biological and social sciences. This Network will link specialists in all three sciences through five generic conceptual and mathematical theme activities. It will promote research into how subsystems self-organise into new emergent structures when assembled into an open, non-equilibrium system. Outcomes will include new technologies and software tools and deeper understanding of fundamental questions i ....ARC Complex Open Systems Research Network. Complexity is the common frontier in the physical, biological and social sciences. This Network will link specialists in all three sciences through five generic conceptual and mathematical theme activities. It will promote research into how subsystems self-organise into new emergent structures when assembled into an open, non-equilibrium system. Outcomes will include new technologies and software tools and deeper understanding of fundamental questions in science. An essential function of the network will be introducing researchers end users to new tools and broadening the horizons of graduate students.Read moreRead less