Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advanc ....Relative free energies from nonequilibrium simulations: algorithms for determination of binding affinities, conformational states and phase transitions. Leading edge research will enable state of the art techniques in statistical mechanics to be applied to practical problems. All processes in biological, chemical and physical systems are governed by their free energy landscape, often only accessible computationally. This project will lead to an advanced tool for free energy calculation. Advancement of emerging technologies in nanoscience, porous materials, membrane transport and drug design will benefit from this capability. The project therefore addresses the Priority Goal 'Breakthrough science'. A PhD student and an Early Career Research will be trained in research, gaining a range of valuable skills in theory and simulation. Read moreRead less
A thermal battery for dish-Stirling concentrated solar power systems. This project will investigate new high temperature (> 600 degrees Celsius) metal hydrides and carbonates suitable for thermochemical energy storage in dish-Stirling Concentrated Solar Power systems. The intended outcome is to discover cost effective, energy dense materials that are capable of operating over a 30 year life span in a solar power plant. This will enable 24/7 electricity production from renewable sources in a disp ....A thermal battery for dish-Stirling concentrated solar power systems. This project will investigate new high temperature (> 600 degrees Celsius) metal hydrides and carbonates suitable for thermochemical energy storage in dish-Stirling Concentrated Solar Power systems. The intended outcome is to discover cost effective, energy dense materials that are capable of operating over a 30 year life span in a solar power plant. This will enable 24/7 electricity production from renewable sources in a dispatchable solar platform, ideal for remote locations. The successful development of high temperature metal hydrides and carbonates will finally provide an energy storage solution to dish-Stirling Concentrated Solar Power systems, which will greatly reduce our reliance on fossil fuels to produce electricity.Read moreRead less
Computational studies of melting and the solvation properties of ionic liquids. Ionic liquids are used in industry as green solvents and electrolytes, although there is not yet sufficient knowledge on the science of ionic liquids to enable optimal solvents to be readily designed. This project uses state of the art techniques in computational chemistry to solve practical problems related to the characteristics of ionic liquids.