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
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
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
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.
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.
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
Discovery Early Career Researcher Award - Grant ID: DE130101441
Funder
Australian Research Council
Funding Amount
$365,219.00
Summary
Thinking outside the box: spherical geometry in chemistry and physics. Spherical models are extremely powerful for understanding, explaining and predicting physical and chemical phenomena. This work takes advantage of the spherical model superiority to tackle some fundamental unsolved problems in physics and chemistry, and this will lead to new insights in their field.
Accurate quantum chemistry via quadrature and resolution. This project seeks to develop two radical new approaches to the integration problem which lies at the heart of quantum chemistry. The first approach will systematically exploit the fact that the energy integral is a totally symmetric function of the electronic coordinates. The second approach will systematically develop one-electron resolutions of the many-electron operators that appear in explicitly correlated quantum chemical methods. A ....Accurate quantum chemistry via quadrature and resolution. This project seeks to develop two radical new approaches to the integration problem which lies at the heart of quantum chemistry. The first approach will systematically exploit the fact that the energy integral is a totally symmetric function of the electronic coordinates. The second approach will systematically develop one-electron resolutions of the many-electron operators that appear in explicitly correlated quantum chemical methods. After developing the underlying theory of these two approaches, this project will implement them efficiently in accessible software, so that they can be used by the scientific community to perform more accurate molecular modelling than has been possible in the past.Read moreRead less
Improved density functional approximations from a new model of the uniform electron gas. By studying the way that electrons move on the surface of a sphere, this project will systematically construct new methods for studying and predicting chemistry using the laws of quantum mechanics. The work will pave the way for even complicated chemical reactions to be investigated using standard PC or Mac computers.