Biotransport design for engineering microenvironment in scaffolds. Tissue engineering signifies an exciting opportunity to solve shortage of transplantable tissues. This project targets a critical issue in engineering thick tissue and aims to introduce computational structural optimisation to biotransport problems. The optimal scaffold is expected to create a more desirable microenvironment for better tissue growth.
Innovative Methods for Very High Dimensional Problems. Real world problems tend to involve an enormous number of variables. This "curse of dimensionality" poses great difficulty in application areas such as statistics, finance, economics, and physics. These high dimensional problems are not confined to Australia, and there is great demand worldwide for effective and efficient methods to tackle these problems. The novel methods developed here will lead to improvements in prevailing computational ....Innovative Methods for Very High Dimensional Problems. Real world problems tend to involve an enormous number of variables. This "curse of dimensionality" poses great difficulty in application areas such as statistics, finance, economics, and physics. These high dimensional problems are not confined to Australia, and there is great demand worldwide for effective and efficient methods to tackle these problems. The novel methods developed here will lead to improvements in prevailing computational technologies, which will help to enhance Australia's reputation as a leading scientific innovator. The international collaborations will increase the research output of the country, build up the knowledge base in the discipline, draw international interest, and initiate linkages.Read moreRead less
Computational enzymology: exploring the free energy landscape of enzymatic catalysis. Most biochemical reactions depend on enzyme catalysis and understanding how enzymes work at the molecular level remains a central question. This project will develop a suite of computational models to study the mechanisms of enzyme-catalysed reactions and such knowledge holds promise for technological benefits in the form of new drugs and novel catalysts.
First Principles Design of Second-Generation Protein Stains. Proteomics is an emerging technology which has the potential to revolutionize modern biology and medicine. Extremely sensitive protein stains are a key proteomics technology, and in conjunction with gel electrophoresis, they facilitate the rapid and quantitative detection of all polypeptides in a cell. However, the tools of proteomics must rapidly advance (cheaper, greater sensitivity, more reliable, safer to handle) before the techn ....First Principles Design of Second-Generation Protein Stains. Proteomics is an emerging technology which has the potential to revolutionize modern biology and medicine. Extremely sensitive protein stains are a key proteomics technology, and in conjunction with gel electrophoresis, they facilitate the rapid and quantitative detection of all polypeptides in a cell. However, the tools of proteomics must rapidly advance (cheaper, greater sensitivity, more reliable, safer to handle) before the technology can mature to the stage where its full potential is realized. We will enable the evolution of proteomics by devising second generation fluorescent protein stains, using the environmentally-friendly natural product, epicocconone, as our design platform.Read moreRead less
Persistent Triplet Carbenes. Viable or Not? Triplet carbenes have significant potential real world applications, such as in modern electronics. However, they are highly reactive (lifetimes typically < 1 day), and this has stymied their development. Can I design so called persistent triplet-carbenes, which have significant lifetimes? I will try to using computer chemistry. In doing so, I will provide synthetic chemists with 'high-value' targets for preparation, hence saving tax dollars and minimi ....Persistent Triplet Carbenes. Viable or Not? Triplet carbenes have significant potential real world applications, such as in modern electronics. However, they are highly reactive (lifetimes typically < 1 day), and this has stymied their development. Can I design so called persistent triplet-carbenes, which have significant lifetimes? I will try to using computer chemistry. In doing so, I will provide synthetic chemists with 'high-value' targets for preparation, hence saving tax dollars and minimizing creation of environmentally damaging waste. Read moreRead less
Computational design for engineering micro/nanotopography. Micro/nanotopography and associated characteristics has major influences in several emerging areas of environmental, biomedical and energy engineering. This project will develop a new computational framework for topographical design and fabrication. It will create new research opportunities and technological innovation for the future development.
Novel Approaches for Problems with Uncertainties. This project aims to develop novel mathematical theories and numerical methods for problems affected by uncertainty in input data. This type of uncertainty exists in most mathematical models of real life applications. For these problems, a single deterministic simulation with one set of input data is of limited use. Therefore, novel techniques to deal with randomness are essential. The problems in this project are driven by specific applications ....Novel Approaches for Problems with Uncertainties. This project aims to develop novel mathematical theories and numerical methods for problems affected by uncertainty in input data. This type of uncertainty exists in most mathematical models of real life applications. For these problems, a single deterministic simulation with one set of input data is of limited use. Therefore, novel techniques to deal with randomness are essential. The problems in this project are driven by specific applications from ferromagnetism, structural acoustics and vibration. The new theories may lay the foundation for understanding ferromagnetic materials and structural acoustics. The novel approaches to be developed in this project may form the basis for the study of stochastic liquid crystal theory and other interface problems.Read moreRead less
Exploring electronic functionality in low-dimensional carbon and boron-nitride nanomaterials via advanced theoretical modelling. This project will spawn innovative carbon/boron nitride materials for next-generation electronics devices by devising new strategies to manipulate and control electronic structure as well as charge/spin transport properties. Outcomes will include technological breakthroughs leading to truly smaller, faster and smarter electronics materials.
On the mechanism of boiling instability in microchannels. This project will enable designers to create highly efficient miniaturised devices based on the boiling of fluids such as water or organics. These devices include micro-power generation systems, coolers for computer chips and solar collectors, and micro-chemical process systems. Such devices provide environmental, safety and economic benefits.
The First Chemically Accurate Tools in Theoretical Materials Research. Non-metallic materials are widely used in catalytic, separation and sensing applications. This project will create a new, accurate, general and systematic approach to the computational study of non-metallic materials and will provide an enormous step forward in our ability to design these materials for specific applications. With ever increasing demand, growing world population and shrinking natural resources, the benefits of ....The First Chemically Accurate Tools in Theoretical Materials Research. Non-metallic materials are widely used in catalytic, separation and sensing applications. This project will create a new, accurate, general and systematic approach to the computational study of non-metallic materials and will provide an enormous step forward in our ability to design these materials for specific applications. With ever increasing demand, growing world population and shrinking natural resources, the benefits of such rational materials design impact on the development of new, safer, more efficient, reusable materials in chemical, engineering, electronic and biological applications. Read moreRead less