Linkage Infrastructure, Equipment And Facilities - Grant ID: Le110100143
Funder
Australian Research Council
Summary
Flexible architecture high-performance computing facility for the intersect consortium of New South Wales. This new supercomputing facility is an important addition to the nation's research infrastructure and will enable world-leading, New South Wales researchers to continue their ground breaking work in increasingly competitive environments. Much of the research to be undertaken at the facility lies in areas of national priority, including frontier technologies and environmental sustainability.
Linkage Infrastructure, Equipment And Facilities - Grant ID: Le120100181
Funder
Australian Research Council
Summary
Strengthening merit-based access and support at the new National Computing Infrastructure petascale supercomputing facility. World-leading high-performance computing is fundamental to Australia's international research success. This facility will provide access to the new National Computational Infrastructure facility by world-leading researchers from six research universities, and sustain ground-breaking work in an increasingly competitive environment.
Linkage Infrastructure, Equipment And Facilities - Grant ID: Le160100051
Funder
Australian Research Council
Summary
Maintaining and enhancing merit-based access to the NCI National Facility. Maintaining and enhancing merit-based access to the national computational infrastructure facility:
This project aims to ensure that Australian researchers have access to the integrated high-performance computing and data environments they need. Australia’s national computational infrastructure (NCI) is the national, high-end research computing facility, providing researchers in universities, government science agencies ....Maintaining and enhancing merit-based access to the NCI National Facility. Maintaining and enhancing merit-based access to the national computational infrastructure facility:
This project aims to ensure that Australian researchers have access to the integrated high-performance computing and data environments they need. Australia’s national computational infrastructure (NCI) is the national, high-end research computing facility, providing researchers in universities, government science agencies and industry with world-class, integrated, high-performance services. These services enable high-impact, data-intensive computational research in all fields of science and technology. This project would continue merit-based access to NCI at the current level, ensuring ongoing international competitiveness of Australian research.Read moreRead less
Theoretical modelling study of thin film permeability. Loss of water from open storages through evaporation exceeds 40 per cent. This project will study the structure, stability and permeation properties of the protective ultra-thin layers. The knowledge will help design novel evaporation suppressants which will drastically reduce water losses and will be crucial for new membrane and drug delivery technologies.
Elucidating the morphology of organic semiconductors at an atomic level. Controlling morphology and self-organization at a molecular level is key to advancing the performance of optoelectronic devices such as organic light-emitting diodes and organic photovoltaic cells. Current device development relies on a costly and inefficient empirical design cycle (material synthesis followed by device fabrication and testing). In addition, the active layers often involve multiple components and their nano ....Elucidating the morphology of organic semiconductors at an atomic level. Controlling morphology and self-organization at a molecular level is key to advancing the performance of optoelectronic devices such as organic light-emitting diodes and organic photovoltaic cells. Current device development relies on a costly and inefficient empirical design cycle (material synthesis followed by device fabrication and testing). In addition, the active layers often involve multiple components and their nano-scale morphology is difficult to probe experimentally. Recently developed molecular simulation techniques can provide unique insight into atomic-level structural details that determine device efficiency. The project will determine if such simulations are sufficiently accurate to be industrially useful.Read moreRead less
Computational studies of melting and the solvation properties of ionic liquids. Ionic liquids are used in industry as green solvents and electrolytes, although there is not yet sufficient knowledge on the science of ionic liquids to enable optimal solvents to be readily designed. This project uses state of the art techniques in computational chemistry to solve practical problems related to the characteristics of ionic liquids.
Pathways for performance improvements of organic light emitting diodes . Organic light-emitting diodes (OLEDs) represent the next generation technology for displays and lighting. Despite their rapid uptake, one of the factors limiting their application in lighting is the efficiency roll-off at high brightness. This project aims to work towards solutions for this problem using an innovative combination of simulation studies and experimental work. Expected outcomes include improved theoretical and ....Pathways for performance improvements of organic light emitting diodes . Organic light-emitting diodes (OLEDs) represent the next generation technology for displays and lighting. Despite their rapid uptake, one of the factors limiting their application in lighting is the efficiency roll-off at high brightness. This project aims to work towards solutions for this problem using an innovative combination of simulation studies and experimental work. Expected outcomes include improved theoretical and experimental approaches leading to new design rules for OLEDs. This should provide significant benefits such as a pathway for development of improved efficient, high brightness OLEDs for applications in low energy consumption lighting and long-lasting, bright displays.Read moreRead less
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
To identify and to understand highly reactive surfaces for solar hydrogen production. This project aims to develop advanced technology to produce hydrogen - carbon-free fuel - from water with sunlight as the only energy input. Using clean energy to replace fossil fuels can help address the issues of energy supply and reduce carbon emissions, which is critically important for a sustainable Australia.
Accurate transport theory for nanofluidic separation science. The project will develop and test new methods to predict the distribution of different components of a complex solution flowing through a nanoporous medium. This will lead to new insights into ways of separating or concentrating the components, with applications ranging from lab on a chip devices to desalination.