Quantum chemical methods: From wavefunction to density functional theory. This project aims to address a major challenge in quantum chemistry - how to extend the applicability of high-level quantum chemical methods to larger molecules. High-level quantum chemical methods can consistently obtain reliable thermochemical and kinetic data, but due to their steep computational cost, they are only applicable to relatively small molecules. The project expects to introduce new concepts and methodologies ....Quantum chemical methods: From wavefunction to density functional theory. This project aims to address a major challenge in quantum chemistry - how to extend the applicability of high-level quantum chemical methods to larger molecules. High-level quantum chemical methods can consistently obtain reliable thermochemical and kinetic data, but due to their steep computational cost, they are only applicable to relatively small molecules. The project expects to introduce new concepts and methodologies that build on recent breakthrough research in the field of ab initio computational chemistry. The new methods should be capable of energetic predictions of unprecedented accuracy for relatively large systems across the Periodic Table and will be used for the development of better density functional theory procedures.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less
Shifting the trend in radical battery research . The project aims to address a growing problem of increasing energy consumption by storing intermittent energy from the sun in affordable and efficient flow batteries. The project expects to generate new knowledge in the areas of materials science and battery research by using innovative theoretical chemistry approaches to studying electrochemical properties of nitroxide radicals in ionic media. The project aims to develop radical organic flow batt ....Shifting the trend in radical battery research . The project aims to address a growing problem of increasing energy consumption by storing intermittent energy from the sun in affordable and efficient flow batteries. The project expects to generate new knowledge in the areas of materials science and battery research by using innovative theoretical chemistry approaches to studying electrochemical properties of nitroxide radicals in ionic media. The project aims to develop radical organic flow batteries by utilising ionic liquids to stabilise radicals. Intended outcomes of the project include improved efficiency of flow batteries that can store energy from widely used solar panels. This should provide significant benefits to Australia’s effort to switch to renewable energy technologies. Read moreRead less
ARC Centre of Excellence for Engineered Quantum Systems. This Centre aims to build sophisticated quantum machines to harness the quantum world for the future health, economy, environment and security of Australian society. It intends to pioneer the designer quantum materials, engines and imaging systems at the heart of these machines. It also solves the most challenging research problems at the interface of basic quantum physics and engineering. The Centre will work with industry partners to tra ....ARC Centre of Excellence for Engineered Quantum Systems. This Centre aims to build sophisticated quantum machines to harness the quantum world for the future health, economy, environment and security of Australian society. It intends to pioneer the designer quantum materials, engines and imaging systems at the heart of these machines. It also solves the most challenging research problems at the interface of basic quantum physics and engineering. The Centre will work with industry partners to translate these research discoveries into practical applications and devices. It will train scientists in research, innovation, and entrepreneurship, which is expected to affect Australia’s high-tech economy.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0775637
Funder
Australian Research Council
Funding Amount
$450,000.00
Summary
An Australian Attosecond Science Facility. The laser facility requested here will provide Australian researchers with the ability to take snapshots of physical and biological processes at unprecedented time resolution. Such a facility will enable Australian researchers to remain competitive and continue to contribute significantly to scientific research on an international scale. The facility will provide excellent training for research higher degree students, preparing them for work in high-tec ....An Australian Attosecond Science Facility. The laser facility requested here will provide Australian researchers with the ability to take snapshots of physical and biological processes at unprecedented time resolution. Such a facility will enable Australian researchers to remain competitive and continue to contribute significantly to scientific research on an international scale. The facility will provide excellent training for research higher degree students, preparing them for work in high-tech industries based on cutting-edge discoveries in physics and biology.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0221428
Funder
Australian Research Council
Funding Amount
$530,000.00
Summary
A Transportable Optical Frequency Counter, Synthesizer and Super-Continuum Generator (OFCSSG). The generation of ultra-short light pulses of just a few femtoseconds (one thousand-trillionth of a second) in duration has enabled applications in a wide range of fields, but complexity and cost has limited availability. This project will employ recently developed optical fibre and solid-state laser technology to create a cost-effective compact transportable facility of highly coherent, ultra-broadba ....A Transportable Optical Frequency Counter, Synthesizer and Super-Continuum Generator (OFCSSG). The generation of ultra-short light pulses of just a few femtoseconds (one thousand-trillionth of a second) in duration has enabled applications in a wide range of fields, but complexity and cost has limited availability. This project will employ recently developed optical fibre and solid-state laser technology to create a cost-effective compact transportable facility of highly coherent, ultra-broadband radiation. The source will enable new research and substantially enrich existing research in optical time standards and metrology, in-vivo biological imaging, and ultrafast spectroscopy. No such facility is presently available in AustraliaRead moreRead less
Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silic ....Light Activated Electrochemistry: Microelectrode Arrays with just one wire. Electrochemistry requires each electrode to be connected to the external circuit by a wire. With many electrodes this means many wires. Wires limit electrode density in arrays and dictate that the electrode architecture must be predetermined. This project aims to remove the need for a wire for each electrode by using light to sequentially connect each electrode to a single wire. This will be achieved using modified silicon electrodes where irradiating with light causes an increase in conductivity at the illumination spot. The project will explore the variables that influence the spatial resolution and apply the ideas to making soft connects for nanoelectronics and making high density electrode arrays for electroanalysis.Read moreRead less
Discovery Early Career Researcher Award - Grant ID: DE160100732
Funder
Australian Research Council
Funding Amount
$359,544.00
Summary
Electrostatic Catalysis: guiding reactive interfaces using electric fields. This project seeks to gain quantitative understanding of the role of electrostatics over chemical processes. Chemical transformations of organic compounds at interfaces underpin some of the most important processes, from the production of fine chemicals for pharmaceuticals to assisting bio-degradation of pollutants in clean technologies. Recent computational studies suggest that by applying oriented electric fields at in ....Electrostatic Catalysis: guiding reactive interfaces using electric fields. This project seeks to gain quantitative understanding of the role of electrostatics over chemical processes. Chemical transformations of organic compounds at interfaces underpin some of the most important processes, from the production of fine chemicals for pharmaceuticals to assisting bio-degradation of pollutants in clean technologies. Recent computational studies suggest that by applying oriented electric fields at interfaces, the rate and the selectivity of chemical processes can be altered at will. The project intends to test these theoretical findings. The knowledge generated by this research may translate into new technologies for the fine-chemical and biotechnology industries.Read moreRead less
Frequency standards with breakthrough performance: engineering immunity to local oscillator instabilities using dynamical error suppression. This project aims to dramatically advance state-of-the-art performance of one of the most important technological systems in modern electronics - precision frequency standards. Our work will provide orders of magnitude gains in performance by translating new knowledge from quantum information to the precision metrology research community.