The role of low-energy excited states in solar-energy capture. This project aims to determine the nature and role of the lowest-energy excited states in most natural photosynthetic reaction centres and light-harvesting complexes. The lowest-energy states of bacterial reaction centres are critical to function and are used as a paradigm in artificial organic solar-energy capture, but for most photosystems their nature remains unknown. The project aims to answer the critical question of why they do ....The role of low-energy excited states in solar-energy capture. This project aims to determine the nature and role of the lowest-energy excited states in most natural photosynthetic reaction centres and light-harvesting complexes. The lowest-energy states of bacterial reaction centres are critical to function and are used as a paradigm in artificial organic solar-energy capture, but for most photosystems their nature remains unknown. The project aims to answer the critical question of why they do not actually prevent function. It is expected that both the outcomes obtained and techniques developed will be directly relevant to solar-energy device design. The project will apply five existing, complimentary and purposely built spectrometers as well as quantum electronic and nuclear simulation techniques to identify and characterise three key systems.Read moreRead less
Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequenc ....Unravelling the dominant drivers of ion specificity. This project aims to understand what governs the sensitivity of many technological and biological processes to the precise nature of the salt present in solution. The term ‘ion-specific’ encompasses all the circumstances in which the influence of a salt in solution depends on the precise chemical nature of the salt, not just the electrical charge on the ions that form the salt. As such, ion-specific effects abound and have important consequences in most situations involving solutions, including cellular functions and battery technology. This project will enable us to understand and control the influence of specific ions, building on our recently described fundamental ion-specific series with colloid science experiments and quantum simulations. This project should overcome current challenges in predicting ion-specific effects leading to progress in a wide variety of applications of colloid and interface science, from sensor interfaces to self-assembly.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
Realistic models of permeation in ion channels. Ion channels are formed by proteins in cell membranes and provide pathways for fast and controlled flow of selected ions. This activity generates action potentials in nerves and muscles that forms the basis of all movement, sensation and thought processes. Recent determination of the crystal structure of channel proteins has enabled construction of models that can relate channel function to its structure--necessary for understanding their operati ....Realistic models of permeation in ion channels. Ion channels are formed by proteins in cell membranes and provide pathways for fast and controlled flow of selected ions. This activity generates action potentials in nerves and muscles that forms the basis of all movement, sensation and thought processes. Recent determination of the crystal structure of channel proteins has enabled construction of models that can relate channel function to its structure--necessary for understanding their operation and seeking cures for diseases caused by their malfunction. This project aims to develop accurate ion-protein-water interactions for permeation models based on stochastic and molecular dynamics simulations using both classical and quantum mechanical methods.Read moreRead less
Reaching new frontiers of quantum fields and gravity through deformations. This project aims to reach new frontiers in quantum field and gravity theories. These underpin systems ranging from semi-conductors to particle collisions and the quantum behavior of black holes. An obstacle is that these theories are notoriously hard to solve. This project proposes to tackle this longstanding problem by using new deformations, symmetries and dualities that have attracted widespread attention. Expected ou ....Reaching new frontiers of quantum fields and gravity through deformations. This project aims to reach new frontiers in quantum field and gravity theories. These underpin systems ranging from semi-conductors to particle collisions and the quantum behavior of black holes. An obstacle is that these theories are notoriously hard to solve. This project proposes to tackle this longstanding problem by using new deformations, symmetries and dualities that have attracted widespread attention. Expected outcomes will include innovative techniques that will greatly enhance and interconnect our knowledge of field theories and quantum gravity, together with new discoveries in quantum-corrected geometries. A new network of domestic and international experts will largely benefit the fields of theoretical and mathematical physics.Read moreRead less
Physical realisation of enriched quantum symmetries. This project aims to investigate fundamental mathematical structures in modern category theory, providing an algebraic description of physical systems including topological order and conformal field theory. The project will study quantum symmetry, and classify and construct new classes of conformal field theories, using novel tools from enriched category theory, modular forms, and lattice gauge theory.
The main goal is to understand the lands ....Physical realisation of enriched quantum symmetries. This project aims to investigate fundamental mathematical structures in modern category theory, providing an algebraic description of physical systems including topological order and conformal field theory. The project will study quantum symmetry, and classify and construct new classes of conformal field theories, using novel tools from enriched category theory, modular forms, and lattice gauge theory.
The main goal is to understand the landscape of topological and conformal field theories, laying the foundation for new technologies based on topological order. This timely project capitalises on the recent arrival of subfactor experts in Australia, and builds capacity in mathematical research and international links in a cutting edge field.Read moreRead less
Topological stability from spectral analysis. The aim is to use mathematical scattering theory to find and study new topological features of the spectra of linear transformations on Hilbert space. The significance derives from mathematical models of low temperature conducting quantum materials. These have revealed `topological phases of matter' that are stable with respect to a range of variations in the parameters that determine the system. The stability is desired for applications to quantum ....Topological stability from spectral analysis. The aim is to use mathematical scattering theory to find and study new topological features of the spectra of linear transformations on Hilbert space. The significance derives from mathematical models of low temperature conducting quantum materials. These have revealed `topological phases of matter' that are stable with respect to a range of variations in the parameters that determine the system. The stability is desired for applications to quantum devices. Our results will give topological stability from the scattering spectrum, a feature not previously seen. The benefits stem from new results in mathematical scattering theory with a primary novelty being the analysis of ``zero energy resonances'' in mathematical models of graphene.Read moreRead less
New Horizons in Diels-Alder Chemistry. Using a unique joint experimental-computational approach, we will develop reliable ways to predict the outcome of one of the most important chemical reactions. Practical applications of these new predictive tools will be developed involving powerful new versions of the reaction. Several different classes of biologically active natural products will be prepared including molecules with antitumor and antiretroviral activities. Libraries of structurally-relate ....New Horizons in Diels-Alder Chemistry. Using a unique joint experimental-computational approach, we will develop reliable ways to predict the outcome of one of the most important chemical reactions. Practical applications of these new predictive tools will be developed involving powerful new versions of the reaction. Several different classes of biologically active natural products will be prepared including molecules with antitumor and antiretroviral activities. Libraries of structurally-related analogues of natural compounds will be synthesised for biological evaluation.Read moreRead less
New quantum and robust control theory with applications to quantum optics. The application of quantum mechanics to the creation of quantum technology promises to be one of the most exciting technological developments of this century. Possible applications of quantum technologies include vastly improved sensors to search for minerals or gravity waves, secure quantum cryptography, and quantum computing. Quantum feedback control is a key tool in quantum technology. This project will lay the fou ....New quantum and robust control theory with applications to quantum optics. The application of quantum mechanics to the creation of quantum technology promises to be one of the most exciting technological developments of this century. Possible applications of quantum technologies include vastly improved sensors to search for minerals or gravity waves, secure quantum cryptography, and quantum computing. Quantum feedback control is a key tool in quantum technology. This project will lay the foundations of systematic theories of robust, coherent and nonlinear quantum feedback control and lead to advances in the control of highly resonant systems which underlie experimental quantum and nano technology. This will enable Australia to reap great benefits as this new technological area emerges.Read moreRead less
Deciphering ion specificity in complex electrolytes . This project aims to understand how ions influence the behaviour and properties of complex electrolytes (solutions containing either multiple ions, solvent mixtures, high electrolyte concentrations or a variety of interfaces, solutes or polymers). Complex electrolytes are ubiquitous in colloidal and particle technologies and underpin industrial and natural processes. Our team will combine experiment, simulation and theory to deliver a univers ....Deciphering ion specificity in complex electrolytes . This project aims to understand how ions influence the behaviour and properties of complex electrolytes (solutions containing either multiple ions, solvent mixtures, high electrolyte concentrations or a variety of interfaces, solutes or polymers). Complex electrolytes are ubiquitous in colloidal and particle technologies and underpin industrial and natural processes. Our team will combine experiment, simulation and theory to deliver a universal framework for understanding and predicting specific ion effects in complex electrolytes. The project outcomes are expected to deliver new understanding for researchers, robust rules of thumb for technologists and a public resource for data-driven solutions in applications utilising salt solutions. Read moreRead less