Investigation and Prediction of the Novel Properties of Dendrimers. Dendrimers are a new class of highly branched polymers, which have, until now, been difficult to characterise by conventional means. This project will develop and apply molecular simulation techniques to reveal the chemical and physical properties of dendrimers and their interactions with other molecules. These novel molecules potentially have beneficial applications to areas such as drug delivery and electronic materials. Th ....Investigation and Prediction of the Novel Properties of Dendrimers. Dendrimers are a new class of highly branched polymers, which have, until now, been difficult to characterise by conventional means. This project will develop and apply molecular simulation techniques to reveal the chemical and physical properties of dendrimers and their interactions with other molecules. These novel molecules potentially have beneficial applications to areas such as drug delivery and electronic materials. The outcome of this work will assist in the exploitation of this beneficial application and will provide the basis for efficient processing.Read moreRead less
Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemica ....Roaming around the Transition State: A New Mechanism of Chemical Reactions. Gas-phase reaction mechanisms are at the core of some of the most important problems facing Australia at present: atmospheric models for CO2 are central to climate change; models of isotope exchange are essential to learn about past climates from Antarctic ice cores; and models of combustion are used to optimise energy efficiency. The mechanisms used in these models rely on accurate chemistry. A newly discovered chemical mechanism has the potential to change many of the reactions that we currently use in these chemical models. This project will determine how important this new mechanism is, and what its impact is on gas-phase reaction models.Read moreRead less
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
Operating Mechanisms and Dynamics of Molecular Motors. This project will enhance the nation's expertise in nanotechnology which is emerging as an important enabling technology for the creation of sophisticated novel materials. It is in the national interest to be at the forefront of this field because of its great potential for economic advantage such as the creation of new valued-added export industries based on "bottom-up" fabrication.
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0989180
Funder
Australian Research Council
Funding Amount
$150,000.00
Summary
Facility for studying the sorption properties of gases by nanostructured materials. The climate debate has put the issues that this research will address at the forefront of community concern. All of the initiatives discussed herein are relevant to alternative energy sources and greenhouse gas reduction. The facility will ensure that the research undertaken will be internationally cutting edge and will hasten the adoption of technologies that will flow from the research, thereby reducing the e ....Facility for studying the sorption properties of gases by nanostructured materials. The climate debate has put the issues that this research will address at the forefront of community concern. All of the initiatives discussed herein are relevant to alternative energy sources and greenhouse gas reduction. The facility will ensure that the research undertaken will be internationally cutting edge and will hasten the adoption of technologies that will flow from the research, thereby reducing the effects of the impending energy crisis and related global pollution issues. The current capability for accurately measuring gas sorption in materials for storage and sequestration is limited in W.A. and the proposed facility will address this situation.Read moreRead less
The Role of Thermodynamics and Kinetics in Self-Assembly of Metallic Nanocrystals. Global interest in metallic nano-crystals has recently increased dramatically as the realized applications of these structures begin to span the fields of nanotechnology and nano-biotechnology. In all these applications, control of the size and morphology of the nano-particles is critically important, as these characteristics determine their electronic, optical and catalytic properties. This requires an understa ....The Role of Thermodynamics and Kinetics in Self-Assembly of Metallic Nanocrystals. Global interest in metallic nano-crystals has recently increased dramatically as the realized applications of these structures begin to span the fields of nanotechnology and nano-biotechnology. In all these applications, control of the size and morphology of the nano-particles is critically important, as these characteristics determine their electronic, optical and catalytic properties. This requires an understanding of the underlying thermodynamic and kinetic driving forces, which govern nano-particle nucleation, growth and stability. This project will investigate the role of surface thermodynamics and growth kinetics in the nucleation, growth and stability of metallic nano-crystals in order to understand how to control their synthesis.Read moreRead less