Seasonal adjustment using disaggregated short time span data. Seasonally adjusted economic and social times series are vital information used by governments and businesses in decision making. This project will develop statistical methods to estimate and remove seasonal factors from economic and social time series using finely disaggregated data for a relatively small number of time periods. This will enable better and quicker estimation of seasonal factors when new series are introduced or there ....Seasonal adjustment using disaggregated short time span data. Seasonally adjusted economic and social times series are vital information used by governments and businesses in decision making. This project will develop statistical methods to estimate and remove seasonal factors from economic and social time series using finely disaggregated data for a relatively small number of time periods. This will enable better and quicker estimation of seasonal factors when new series are introduced or there a major changes to existing series, improving the analysis of such series and the decisions based on them.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
Robust Reformulation Methods. Many decision problems in engineering, business and economics are modeled as nonlinear continuous optimization problems. Often these are made difficult by the existence of constraints. In this project, we reformulate such problems as constrained nonsmooth equations, rather than optimization problems, and develop generalized Newton and quasi-Newton methods for solving them. The expected outcomes of this project include a systematic theory of reformulation methods, ....Robust Reformulation Methods. Many decision problems in engineering, business and economics are modeled as nonlinear continuous optimization problems. Often these are made difficult by the existence of constraints. In this project, we reformulate such problems as constrained nonsmooth equations, rather than optimization problems, and develop generalized Newton and quasi-Newton methods for solving them. The expected outcomes of this project include a systematic theory of reformulation methods, and robust and efficient algorithms for solving some important nonlinear continuous optimization problems. There is high potential for applications in engineering, business and finance.Read moreRead less
Industrial Transformation Training Centres - Grant ID: IC190100031
Funder
Australian Research Council
Funding Amount
$3,973,202.00
Summary
ARC Training Centre in Data Analytics for Resources and Environments (DARE). Understanding the cumulative impact of actions regarding the use of our resources has important long-term consequences for Australia’s economic, societal and environmental health. Yet despite the importance of these cumulative impacts, and the availability of data, many decisions and policies are based on limited amounts of data and rudimentary data analysis, with little appreciation of the critical role that understand ....ARC Training Centre in Data Analytics for Resources and Environments (DARE). Understanding the cumulative impact of actions regarding the use of our resources has important long-term consequences for Australia’s economic, societal and environmental health. Yet despite the importance of these cumulative impacts, and the availability of data, many decisions and policies are based on limited amounts of data and rudimentary data analysis, with little appreciation of the critical role that understanding and quantifying uncertainty plays in the process. The aim of Data Analytics in Resources and Environment (DARE) is to develop and deliver the data science skills and tools for Australia’s resource industries to make the best possible evidence-based decisions in exploiting and stewarding the nation’s natural resources.Read moreRead less
The role of hypohalous acids and related oxidants in the oxidative damage of biological systems: a computational investigation. The aim of this project is to decipher the molecular mechanisms of key reactions involved in oxidative damage to biomolecules. The study will lead to a better understanding of oxidative stress in biological systems and its role in chronic inflammatory disease, heart disease, and cancer.
Rates, Patterns And Determinants Of Alcohol’s Harm To Others: A Cross-national Comparative Study
Funder
National Health and Medical Research Council
Funding Amount
$305,856.00
Summary
Alcohol causes harms to drinkers, and others around them, including spouses, children, family, friends, workmates and strangers. Australian and New Zealand work on alcohol’s harm to others is being replicated by the WHO in 7 countries (Chile, Nigeria, Sri Lanka, India, Thailand, Laos and Vietnam). We aim to analyse datasets from nine countries and compare the magnitude and patterning of problems across and within cultures – identifying opportunities for reducing harm from others’ drinking.
Next generation high throughput lipidomics using adaptive modelling. This project aims to develop a unique high-throughput method to capture the lipidomic profile of human plasma suitable for large human population screening. Lipids are fundamental to every biological system, but our understanding of their regulation in humans have been largely superficial. By incorporating a new lipidomics approach, with genomic data, this project aims to expand our understanding of human biology by identifying ....Next generation high throughput lipidomics using adaptive modelling. This project aims to develop a unique high-throughput method to capture the lipidomic profile of human plasma suitable for large human population screening. Lipids are fundamental to every biological system, but our understanding of their regulation in humans have been largely superficial. By incorporating a new lipidomics approach, with genomic data, this project aims to expand our understanding of human biology by identifying regulators of lipid metabolism. The large diversity in humans necessitate sufficient sample sizes to identify true genetic regulators, but to date techniques capturing phenotypic data (lipids) have been largely limited. It is anticipated that this study will identify new regulators of lipid metabolism in humans.Read moreRead less
Hirshfeld surfaces in molecular crystals: Revolutionary tools for crystal engineers. Crystal engineering is an exciting modern branch of chemistry that seeks to understand intermolecular interactions in the context of crystal packing, and to use this understanding in the design of new materials with desirable physical and chemical properties. This project will considerably extend our already significant contribution to the detailed analysis of intermolecular interactions in molecular crystal st ....Hirshfeld surfaces in molecular crystals: Revolutionary tools for crystal engineers. Crystal engineering is an exciting modern branch of chemistry that seeks to understand intermolecular interactions in the context of crystal packing, and to use this understanding in the design of new materials with desirable physical and chemical properties. This project will considerably extend our already significant contribution to the detailed analysis of intermolecular interactions in molecular crystal structures. It will achieve this by a substantial enhancement of our novel visualization tools, by improving upon current approaches to the analysis of theoretical and experimental crystalline electron distributions for molecular materials, and by ensuring the widespread availability of resulting software to all researchers.Read moreRead less
Nonlinear optical properties of molecular crystals: An innovative approach to their determination using high-resolution X-ray diffraction data. This project will make a novel contribution towards the creation and optimisation of new optically-active materials, an objective central to future photon science and information technology. By developing and implementing innovative approaches in the charge density analysis of high-resolution, low-temperature single-crystal X-ray diffraction data, we wil ....Nonlinear optical properties of molecular crystals: An innovative approach to their determination using high-resolution X-ray diffraction data. This project will make a novel contribution towards the creation and optimisation of new optically-active materials, an objective central to future photon science and information technology. By developing and implementing innovative approaches in the charge density analysis of high-resolution, low-temperature single-crystal X-ray diffraction data, we will obtain in-crystal estimates of the electronic part of molecular (hyper)polarisabilities and related bulk susceptibilities, for crystals of selected important organic nonlinear optical (NLO) materials. The program will exploit advances in CCD technology for X-ray data collection, procedures for electron density and wavefunction fitting, and analysis of molecular dynamics in crystals.Read moreRead less
Understanding Growth in Emotion Regulatory Flexibility in Emerging Adults. Emerging adults (ages 18-25) are now facing unparalleled social and technological change and the on-going effects of the COVID-19 pandemic. Such demands can be overwhelming and undermine engagement with education and employment, with serious impacts for the individual and society. At the same time, our novel model proposes that the diverse daily adult-like stressors that characterise emerging adulthood can also drive grow ....Understanding Growth in Emotion Regulatory Flexibility in Emerging Adults. Emerging adults (ages 18-25) are now facing unparalleled social and technological change and the on-going effects of the COVID-19 pandemic. Such demands can be overwhelming and undermine engagement with education and employment, with serious impacts for the individual and society. At the same time, our novel model proposes that the diverse daily adult-like stressors that characterise emerging adulthood can also drive growth in flexible emotion regulation when combined with reflection on, and insight into, their own coping processes. Our research expands scientific knowledge by taking the first steps to uncover why some emerging adults increase their ability to flexibly regulate their emotions over this period, whereas others fail to do so.Read moreRead less