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.
Non-precious fuel cell cathode catalysts from carbon-based nanohybrids: a computational to experimental quest. This joint computational-experimental project will address significant problems including high cost, limited availability and poor performance in traditional platinum-based fuel cell technology. The outcomes are expected to help address global energy problems through the development of inexpensive fuel cell catalysts based on carbon nanohybrids.
Engineering quantum matter atom-by-atom. This project aims to engineer artificial quantum matter that mimics conventional materials in the most direct way to date, by building them atom-by-atom. The ability to directly control interactions and measure correlations in quantum matter at the atomic scale could provide the most direct method to date to tailor the properties of an entirely new class of technologically relevant quantum materials. The peculiar electronic and magnetic properties of such ....Engineering quantum matter atom-by-atom. This project aims to engineer artificial quantum matter that mimics conventional materials in the most direct way to date, by building them atom-by-atom. The ability to directly control interactions and measure correlations in quantum matter at the atomic scale could provide the most direct method to date to tailor the properties of an entirely new class of technologically relevant quantum materials. The peculiar electronic and magnetic properties of such materials put them in a leading position to revolutionise energy, information, and communication technologies.Read moreRead less
Generalised density functional theory for accurate chemistry. The project aims to construct two new methods for predicting chemical structure, bonding and reactivity. The first of these (gLDA2) would be useful for modelling molecules whose electrons are constrained to a two-dimensional plane. The second (gLDA3) would be useful for modelling molecules with unconstrained electrons. The project plans to implement the two methods in user-friendly software packages and made available to researchers i ....Generalised density functional theory for accurate chemistry. The project aims to construct two new methods for predicting chemical structure, bonding and reactivity. The first of these (gLDA2) would be useful for modelling molecules whose electrons are constrained to a two-dimensional plane. The second (gLDA3) would be useful for modelling molecules with unconstrained electrons. The project plans to implement the two methods in user-friendly software packages and made available to researchers in Australia and around the world improve manufacturing efficiency in the chemical, biological, medicinal and agricultural contexts. Unlike the semi-empirical approaches that they seek to replace, these two new methods will be derived from the properties of electrons on spheres or hyperspheres and thereby have a solid foundation in quantum mechanics.Read moreRead less