Electron correlation models using morph operators and hybrid intracules. A new solution to the central problem in quantum chemistry will allow researchers in the chemical, pharmaceutical and materials sciences to predict the chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Special Research Initiatives - Grant ID: SR0354591
Funder
Australian Research Council
Funding Amount
$10,000.00
Summary
New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Ma ....New Techniques using X-rays, Electrons and Quantum Optics in Physics & Chemistry and key developments for biomedicine & industry. This network will develop theoretical, experimental and computational techniques addressing key issues in physics, chemistry, biology and geosciences. Scope will be wide-ranging and inclusive. We anticipate making major developments in the design and understanding of absolute X-ray Absorption Fine Structure, X-ray, Neutron and Electron Diffraction, Electron Density Mapping, Molecular and Cluster computations and Powder Diffraction for fundamental research, biomedical and industrial applications. These breakthroughs will be invaluable for the development of Australia's major research infrastructure (the synchrotron, electron microscopes, and the research reactor). This will develop Australian expertise and collaboration at the cutting edge of a variety of interdisciplinary fields.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0882493
Funder
Australian Research Council
Funding Amount
$700,000.00
Summary
High-accuracy spectroscopy under extreme conditions: combining novel synchrotron and laboratory-based spectroscopy. This project aims at maintaining the leading position of Australia in nationally important fields such as ore and environmental geology, ore processing and metallurgy, nano- and bio-technology. This project aims to establish an integrated set of state-of-the-art, often unique and revolutionary new tools, taking in particular advantage of local innovation in instrumentation and spec ....High-accuracy spectroscopy under extreme conditions: combining novel synchrotron and laboratory-based spectroscopy. This project aims at maintaining the leading position of Australia in nationally important fields such as ore and environmental geology, ore processing and metallurgy, nano- and bio-technology. This project aims to establish an integrated set of state-of-the-art, often unique and revolutionary new tools, taking in particular advantage of local innovation in instrumentation and spectroscopy theory, of the investment in major facilities (Australian Synchrotron). By improving cross-disciplinary links among research groups interested in in-situ spectroscopy (Earth Sciences, Physics, Chemistry, Biological Sciences, Biochemistry, Biomedicine, Engineering), this application will results in major scientific and industrial advances.Read moreRead less
Development and implementation of efficient new models for electron correlation. The two new approaches will allow researchers in the chemical, pharmaceutical and materials sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.
Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the m ....Molecular Energies and Non-Bonded Interactions. The development of new techniques that allow non-bonded chemical interactions to be modelled and predicted reliably and accurately will allow researchers in the chemical, and pharmaceutical sciences to predict the physical and chemical behaviour of moderately large molecular systems with an accuracy and efficiency that has not previously been possible. The software that will result will enable cost and time savings in molecular design within the medical and agricultural contexts.Read moreRead less
Joint Theoretical and Experimental Electron Momentum Spectroscopic Studies for DNA Bases. The study of DNA structure is an area of intense research activity and continues to reveal new levels of complexity and diversity. Recent experiments (Science, 2002) provided direct evidences of the adenine non-planarity, indicating non-rigidity of DNA bases. Electron momentum spectroscopy (EMS) has been identified to be an appropriate technique in the study of chemical binding mechanism and orbitals at mol ....Joint Theoretical and Experimental Electron Momentum Spectroscopic Studies for DNA Bases. The study of DNA structure is an area of intense research activity and continues to reveal new levels of complexity and diversity. Recent experiments (Science, 2002) provided direct evidences of the adenine non-planarity, indicating non-rigidity of DNA bases. Electron momentum spectroscopy (EMS) has been identified to be an appropriate technique in the study of chemical binding mechanism and orbitals at molecular level. The aims of the project is to study orbitals and interactions of DNA and RNA bases such as adenine, thymine (uracil), guanine and cytosine using momentum space quantum mechanics and EMS experimental techniques. The outcome of the project will improve our understanding of the DNA double helical strand structure.Read moreRead less
Synchrotron developments of new techniques in X-ray interactions with matter, resolving major discrepancies in Quantum Physics and Chemistry. Synchrotron science is a priority area for Australia, the USA, and most first world countries. Development of new ideas and tools for X-ray investigations is the key to future opportunities and is the subject of this proposal. We will develop new techniques for crystallographic electron-density studies, X-ray Anomalous Fine Structure (XAFS) and Multiple-wa ....Synchrotron developments of new techniques in X-ray interactions with matter, resolving major discrepancies in Quantum Physics and Chemistry. Synchrotron science is a priority area for Australia, the USA, and most first world countries. Development of new ideas and tools for X-ray investigations is the key to future opportunities and is the subject of this proposal. We will develop new techniques for crystallographic electron-density studies, X-ray Anomalous Fine Structure (XAFS) and Multiple-wavelength Anomalous Dispersion (MAD), and provide useful advances for X-ray lithography and radiography. Simultaneous investigation of form factors, absorption coefficients, anomalous dispersion and X-ray scattering will provide new experimental tests of relativistic atomic wavefunction calculations, molecular bonding and solid state coupled cluster theory. Major discrepancies will be resolved.Read moreRead less
Vertically-aligned Single-walled Carbon Nanotube and Quantum Dot Junctions: A New Concept for Optically-tunable Three-dimensional Information Storage and Processing. The proposed study will have a direct impact to computer science and engineering and may provide new routes for application-oriented optoelectronic devices with outstanding performance. As industry gets closer to the realization of nanoscale applications, there will be a need of people who are educated in nanoscience and nanotechnol ....Vertically-aligned Single-walled Carbon Nanotube and Quantum Dot Junctions: A New Concept for Optically-tunable Three-dimensional Information Storage and Processing. The proposed study will have a direct impact to computer science and engineering and may provide new routes for application-oriented optoelectronic devices with outstanding performance. As industry gets closer to the realization of nanoscale applications, there will be a need of people who are educated in nanoscience and nanotechnology. This project will involve postdoctoral, graduate, undergraduate, high school, and minority students from multidisciplinary backgrounds to work together on the development of a common platform. Read moreRead less
Understanding Collisions of Cold Polar Molecules. This project is in a high impact research field and therefore has several immediate and substantial national benefits. First, this project will directly raise the quality of Australian science in ultracold atomic physics, cold polar molecules physics, and quantum chemistry. Second, it will constitute high impact research from an Australian institute which will raise the recognition of the high quality Australian science. Third, it will further ....Understanding Collisions of Cold Polar Molecules. This project is in a high impact research field and therefore has several immediate and substantial national benefits. First, this project will directly raise the quality of Australian science in ultracold atomic physics, cold polar molecules physics, and quantum chemistry. Second, it will constitute high impact research from an Australian institute which will raise the recognition of the high quality Australian science. Third, it will further develop capabilities of the ARC Centre of Excellence for Quantum-Atom Optics (ACQAO). Fourth, this work will start high calibre international collaborations, most notably with a world renowned experimental group at Yale University among others.Read moreRead less
Quantum Entanglement of Protons Studied by Electron Scattering at High Momentum Transfer. Eighty years after the establishment of quantum mechanics protons in matter are still largely seen as 'classical' particles, that do not interfere in ways known to occur for light and electrons. There are indications from neutron and electron scattering experiments from solids that, for extremely short time scales, (one-millionth of a nanosecond), this picture is too simple. The proposed experiment seeks t ....Quantum Entanglement of Protons Studied by Electron Scattering at High Momentum Transfer. Eighty years after the establishment of quantum mechanics protons in matter are still largely seen as 'classical' particles, that do not interfere in ways known to occur for light and electrons. There are indications from neutron and electron scattering experiments from solids that, for extremely short time scales, (one-millionth of a nanosecond), this picture is too simple. The proposed experiment seeks to establish this fact for molecules in the gas-phase. As the chemical bond is formed at similar time-scales these experiments will improve our understanding of chemical reactions, and hence be of great value for the chemical industry.Read moreRead less