Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linea ....Use of Interval Arithmetic and GRID Computing in Computational Molecular Science: Bounding Errors and Locating Global Minima. Catastrophic failure of the Ariane 5 rocket in 1996 and the inability of Patriot missile systems to reach their targets during the 1991 Gulf war were both attributed to numerical computing errors. Less dramatic, but in a similar vein, this project aims to study the numerical stability of contemporary computational molecular science applications. The focus will be on linear scaling electronic structure codes, methods that are critical to the study of nano- and bio-materials, and are therefore of great importance to our economic future and medical well being. The project will build expertise within Australia in the area of interval arithmetic, an area that is currently poorly represented.Read moreRead less
ARC Centre for Nanostructured Electromaterials. Electromaterials transport electrons or ions and facilitate charge transfer, underpinning most energy capture/storage processes and cell communication. We propose a national Centre to develop nanostructured electromaterials with exceptional properties. The Centre aims to synthesise novel nanomaterials and assemble them into innovative nanoscale devices. We will exploit these materials to enhance performance in energy conversion/storage systems (eg. ....ARC Centre for Nanostructured Electromaterials. Electromaterials transport electrons or ions and facilitate charge transfer, underpinning most energy capture/storage processes and cell communication. We propose a national Centre to develop nanostructured electromaterials with exceptional properties. The Centre aims to synthesise novel nanomaterials and assemble them into innovative nanoscale devices. We will exploit these materials to enhance performance in energy conversion/storage systems (eg. photovoltaics, batteries, including wearable systems), and novel energy transfer in bioapplications (eg. Bionic Ear). These advances, together with the resource of trained personnel, will assist Australian industry to exploit this exciting area.Read moreRead less