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
Accurate quantum modeling of the van der Waals interaction and its application to molecular physisorption onto surfaces. Developing zero emission clean fuel technology for transportation and developing sensitive diagnostic markers for medical diagnosis will clearly benefit Australia. In both cases large technological challenges need to be overcome. This investigation will provide theoretical insight and understanding into the molecular processes which underpin these highly desirable technologies ....Accurate quantum modeling of the van der Waals interaction and its application to molecular physisorption onto surfaces. Developing zero emission clean fuel technology for transportation and developing sensitive diagnostic markers for medical diagnosis will clearly benefit Australia. In both cases large technological challenges need to be overcome. This investigation will provide theoretical insight and understanding into the molecular processes which underpin these highly desirable technologies and aid scientists and engineers in their development. A further, more general, outcome will be an accurate and predictive methodology for investigating nanotechnology problems in any material where molecular physisorption is an important process.Read moreRead less
Fundamental Theoretical Study of Hydrogen Interactions with Novel Nanostructures. While governments around the world are planning to implement a hydrogen-based energy economy in the next several decades, the delivery of practical hydrogen energy technology has proven elusive to date, with major developments required in the production, storage and transport of hydrogen. This research will undertake to provide one key step in the development of safe and efficient hydrogen storage, namely a fundam ....Fundamental Theoretical Study of Hydrogen Interactions with Novel Nanostructures. While governments around the world are planning to implement a hydrogen-based energy economy in the next several decades, the delivery of practical hydrogen energy technology has proven elusive to date, with major developments required in the production, storage and transport of hydrogen. This research will undertake to provide one key step in the development of safe and efficient hydrogen storage, namely a fundamental study delivering basic knowledge of hydrogen interactions with nano-structured materials constructed from inexpensive light metals such as Aluminium.Read moreRead less
Understanding and controlling the processes underlying self assembly of nanostructures on surfaces. Efficient clean fuel technology, new classes of nano- and bio-materials, bio specific drug delivery systems, efficient environmental remediation technologies, advanced catalytic applications, namely every area of technology would benefit from the ability to control self-assembly of matter at the atomic level during fabrication of nanodevices. This proposal seeks to understand the processes driving ....Understanding and controlling the processes underlying self assembly of nanostructures on surfaces. Efficient clean fuel technology, new classes of nano- and bio-materials, bio specific drug delivery systems, efficient environmental remediation technologies, advanced catalytic applications, namely every area of technology would benefit from the ability to control self-assembly of matter at the atomic level during fabrication of nanodevices. This proposal seeks to understand the processes driving self-assembly of nanomaterials and how to control these processes.Read moreRead less
Response of Proteins to External Non-Ionising Radiation: an Experimental and Computer Modelling Investigation. The expanding use of digital technologies such as mobile phones has led to major health concerns about the effects of non-ionising pulsed radiation exposure which has been shown to produce instantaneous temperature rises undetectable by normal thermometry. The health implications of exposure are not understandable without establishing molecular mechanisms by which pulsed microwaves can ....Response of Proteins to External Non-Ionising Radiation: an Experimental and Computer Modelling Investigation. The expanding use of digital technologies such as mobile phones has led to major health concerns about the effects of non-ionising pulsed radiation exposure which has been shown to produce instantaneous temperature rises undetectable by normal thermometry. The health implications of exposure are not understandable without establishing molecular mechanisms by which pulsed microwaves can cause biological effects. We aim to establish methods for studying the molecular mechanisms of protein structural and energetic changes occurring due to non-ionising radiation. The results will help our industry partner to design specific drugs as well as formulate a scientifically based standard for microwave utilisation.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989506
Funder
Australian Research Council
Funding Amount
$500,000.00
Summary
A high performance computing cluster and storage for the INTERSECT Consortium of NSW. The installation of this new supercomputing facility is an important addition to the nation's foundation research infrastructure. Of particular importance to research groups in NSW is the much needed boost in computational research and research training capacity that it will provide, enabling world leading research teams to continue their ground breaking work in an increasingly competitive international enviro ....A high performance computing cluster and storage for the INTERSECT Consortium of NSW. The installation of this new supercomputing facility is an important addition to the nation's foundation research infrastructure. Of particular importance to research groups in NSW is the much needed boost in computational research and research training capacity that it will provide, enabling world leading research teams to continue their ground breaking work in an increasingly competitive international environment. Much of the research to be supported lies in areas of national priority, including frontier technologies and Australian environmental sustainability.Read moreRead less
Exploring the Frontiers of Free-Radical Chemistry: Self-Terminating Radical Reactions. Self-terminating free-radical reactions are a new concept in the chemist's synthetic armory. This innovative technique, invented by the chief investigators, has enormous synthetic scope that is yet largely untapped. This proposal seeks to develop novel reactions based on this concept; to explore their generality and versatility in organic synthesis through the use of both laboratory and computational techniq ....Exploring the Frontiers of Free-Radical Chemistry: Self-Terminating Radical Reactions. Self-terminating free-radical reactions are a new concept in the chemist's synthetic armory. This innovative technique, invented by the chief investigators, has enormous synthetic scope that is yet largely untapped. This proposal seeks to develop novel reactions based on this concept; to explore their generality and versatility in organic synthesis through the use of both laboratory and computational techniques. In this manner, singificant contributions to frontier technologies and breakthrough science will be made.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
Operating Mechanisms and Dynamics of Molecular Motors. This project will enhance the nation's expertise in nanotechnology which is emerging as an important enabling technology for the creation of sophisticated novel materials. It is in the national interest to be at the forefront of this field because of its great potential for economic advantage such as the creation of new valued-added export industries based on "bottom-up" fabrication.
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