Novel framework for optimising battery-cooling microchannel heat exchangers. Thermal overheating can affect the capacity, safety and life expectancy of batteries for renewable energy storage and electric vehicles. Microscale heat exchangers are a potential high-efficiency, low-bulk solution. This project aims to develop a novel computational methodology to optimise the design of those heat exchangers in which viscoelastic fluids are used to control flow instabilities and enhance heat transfer at ....Novel framework for optimising battery-cooling microchannel heat exchangers. Thermal overheating can affect the capacity, safety and life expectancy of batteries for renewable energy storage and electric vehicles. Microscale heat exchangers are a potential high-efficiency, low-bulk solution. This project aims to develop a novel computational methodology to optimise the design of those heat exchangers in which viscoelastic fluids are used to control flow instabilities and enhance heat transfer at the microscale. A new microscopic fluid physics model will provide data for an innovative neural network framework to optimise the working fluid conditions and microscale design, which could contribute to increased adoption of renewable energy technologies that are supported by microscale heat exchangers.Read moreRead less
Physics-informed Computational Framework for Optimised Microfluidic Systems. The miniaturisation of chemical and biological processes requires microfluidic tools for the precise manipulation of complex fluids at the microscale. This project aims to integrate new computational methods that enable unprecedented control over the design and optimisation of these tools. The project will deliver a cornerstone framework to elucidate the complex microscopic fluid physics that currently poses a challenge ....Physics-informed Computational Framework for Optimised Microfluidic Systems. The miniaturisation of chemical and biological processes requires microfluidic tools for the precise manipulation of complex fluids at the microscale. This project aims to integrate new computational methods that enable unprecedented control over the design and optimisation of these tools. The project will deliver a cornerstone framework to elucidate the complex microscopic fluid physics that currently poses a challenge for the advancement of microfluidic technologies. The outcomes of this project will establish physical principles to guide the design of microfluidic systems and provide the computational capabilities that can potentially transform the way researchers and engineers design, optimise and use microfluidic technologies.Read moreRead less
Sustainable Electrocatalytic Synthesis of Urea. Urea is a critical chemical for agriculture, the chemical industry and pollution control, yet current production methods are unsustainable. This project aims to design high-efficiency catalysts for electrochemical urea synthesis from theoretical studies. This project expects to generate new knowledge of chemistry and catalysis from new reaction mechanisms and materials. Expected outcomes include optimum catalysts with high conversion efficiency and ....Sustainable Electrocatalytic Synthesis of Urea. Urea is a critical chemical for agriculture, the chemical industry and pollution control, yet current production methods are unsustainable. This project aims to design high-efficiency catalysts for electrochemical urea synthesis from theoretical studies. This project expects to generate new knowledge of chemistry and catalysis from new reaction mechanisms and materials. Expected outcomes include optimum catalysts with high conversion efficiency and reactant selectivity. The novel catalysts have the potential to deliver improved catalytic performance and controllable reaction reactants. This could deliver significant benefits to the crop production increase, cost reduction of chemical industry, and environmental pollution reduction.Read moreRead less
Solving the solvent problem in chemical modelling. This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficul ....Solving the solvent problem in chemical modelling. This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficult and expensive real world chemical problems by allowing researchers to reliably include solvents in their models. It will have economic benefits for the chemical, mining and materials sectors in Australia, which represent billion-dollar industries.Read moreRead less
Statistical Methods for Next Generation Genome-Wide Association Studies. This project aims to develop cutting-edge statistical methods to analyse large genomic datasets and identify genetic variants associated with inter-individual differences in various human traits. Knowledge of trait-associated DNA variants is instrumental in understanding how natural selection has shaped human traits. By integrating genomic data from diverse and underrepresented populations, this project further expects to c ....Statistical Methods for Next Generation Genome-Wide Association Studies. This project aims to develop cutting-edge statistical methods to analyse large genomic datasets and identify genetic variants associated with inter-individual differences in various human traits. Knowledge of trait-associated DNA variants is instrumental in understanding how natural selection has shaped human traits. By integrating genomic data from diverse and underrepresented populations, this project further expects to contribute to the equitable use of genomic technologies in humans, regardless of geographical origins. Expected outcomes of this research include novel analysis methods and software tools, which should broadly and significantly benefit gene discovery in other species, including those of agricultural relevance.Read moreRead less
Understanding prokaryotic small proteins from context. Prokaryotic small proteins are increasingly recognised to play important biological roles but have been largely overlooked due to the lack of adequate tools to study them. This project aims to develop new methods to identify and predict the functions of small proteins from microbial communities by studying sequence patterns in their genomes. These predicted functions will be confirmed in the laboratory, leading to a catalogue of newly charac ....Understanding prokaryotic small proteins from context. Prokaryotic small proteins are increasingly recognised to play important biological roles but have been largely overlooked due to the lack of adequate tools to study them. This project aims to develop new methods to identify and predict the functions of small proteins from microbial communities by studying sequence patterns in their genomes. These predicted functions will be confirmed in the laboratory, leading to a catalogue of newly characterised small proteins from a diverse range of habitats and geographies. By creating new ways to study the role of small proteins in the global microbiome, we will provide the foundational knowledge required to leverage these proteins for use in biotechnology. Read moreRead less
In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics. Two dimensional (2D) ferromagnets have great promise for next generation electronics, but suffer from small magnetic anistropy and low Curie temperature for application at the ambient condition. This project aims not only to tackle this challenge by discovering and designing 2D ferromagnet with large anistropy and Curie temperature, but also to engineer 2D ferromagnet with highly mobile electron or extra ferroelectricit ....In Silico Discovery and Design of 2D Ferromagnets for Nanoscale Electronics. Two dimensional (2D) ferromagnets have great promise for next generation electronics, but suffer from small magnetic anistropy and low Curie temperature for application at the ambient condition. This project aims not only to tackle this challenge by discovering and designing 2D ferromagnet with large anistropy and Curie temperature, but also to engineer 2D ferromagnet with highly mobile electron or extra ferroelectricity for novel nanoelectronic device. The technological outcomes will impact on the Australian economy through the potential for new knowledge-based electronics industry. Strong collaboration with leading expert will enable this Australian theoretical team to continue to establish itself as a leader in the field of 2D materials.Read moreRead less
Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically act ....Enhanced force fields for computational drug design and materials research. This project aims to improve the atomic interaction functions used to calculate the structural, dynamic and thermodynamic properties of molecules that alter net charge or structure in different environments. Predicting the stability of alternative protonation and tautomeric states for molecules bound to therapeutic targets is a major challenge in computational drug design. It is key to identifying the therapeutically active chemical species as well as understanding drug transport and off-target effects. The work will expand the utility of modelling software used by over 13,000 researchers worldwide. In addition, the improved interaction functions will also help in the understanding of a wide range of other materials at an atomic level.Read moreRead less
Boosting Carbon Dioxide Reduction via Surface and Interface Engineering . This project will develop innovative catalysts for the reduction of CO2 into carbon fuels via cost effective computational design. The approach aims at engineering catalytic surface and interface to modulate the coordination environment around catalytic active copper atom. The expected outcomes will be high performance catalyst materials that can significantly boost the conversion of CO2 into valuable fuels. The new knowle ....Boosting Carbon Dioxide Reduction via Surface and Interface Engineering . This project will develop innovative catalysts for the reduction of CO2 into carbon fuels via cost effective computational design. The approach aims at engineering catalytic surface and interface to modulate the coordination environment around catalytic active copper atom. The expected outcomes will be high performance catalyst materials that can significantly boost the conversion of CO2 into valuable fuels. The new knowledge achieved in this project will dramatically advance the development of sustainable carbon cycle, providing solutions to the global energy supply and environmental issues. The smarter energy and environmental technologies will potentially result in the enhancements to the quality of the everyday lives of Australian.Read moreRead less