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
Unique Chemistry from Radioactive Decay in the Solid-State. Australia is an important member of the international nuclear fuel cycle. It holds one-third of the world's uranium reserves and is a major player in the development of technology for immobilizing radioactive waste. We will use computer simulation to answer a very important question which is extremely difficult to study experimentally: How does radioactive decay inside a solid change the chemistry of the material over time? Not only wil ....Unique Chemistry from Radioactive Decay in the Solid-State. Australia is an important member of the international nuclear fuel cycle. It holds one-third of the world's uranium reserves and is a major player in the development of technology for immobilizing radioactive waste. We will use computer simulation to answer a very important question which is extremely difficult to study experimentally: How does radioactive decay inside a solid change the chemistry of the material over time? Not only will our study improve nuclear waste storage, it will also reveal how in-situ chemical change creates new kinds of solids which cannot be made by conventional means. These solids can exhibit unusual and useful behaviour; this project provides the first investigation of this unexplored technological niche.Read moreRead less
Lowering the barriers to a hydrogen technology: What slows proton conductors? When hydrogen burns the only product is water, therefore making it the most attractive form of clean energy. Central to the technological use of hydrogen is the need for a material through which only this element can pass, both so that the energy can be extracted and for purification. At present high temperatures are needed to allow hydrogen to pass through solids that exhibit this sieving property. Through state of th ....Lowering the barriers to a hydrogen technology: What slows proton conductors? When hydrogen burns the only product is water, therefore making it the most attractive form of clean energy. Central to the technological use of hydrogen is the need for a material through which only this element can pass, both so that the energy can be extracted and for purification. At present high temperatures are needed to allow hydrogen to pass through solids that exhibit this sieving property. Through state of the art computational methods the movement through these materials can be observed so that the regions that slow the hydrogen down can be identified. From this understanding it will be possible to design more efficient ways of producing energy that can provide clean air for cities and reliable power for remote communities.Read moreRead less