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
Special Research Initiatives - Grant ID: SR0566892
Funder
Australian Research Council
Funding Amount
$220,000.00
Summary
The EarthByte software and database system. Earth processes over geological timescales cannot be understood outside of a plate tectonic context. However, no standard tool exists to explore the causes and effects of lithosphere-mantle interaction in accordance with past plate configurations. Our aim is to develop a Palaeo-Geographic Information System called EarthByte that will connect the open source and architecture-independent GPlates and GMT software, and implement XML-based service interfac ....The EarthByte software and database system. Earth processes over geological timescales cannot be understood outside of a plate tectonic context. However, no standard tool exists to explore the causes and effects of lithosphere-mantle interaction in accordance with past plate configurations. Our aim is to develop a Palaeo-Geographic Information System called EarthByte that will connect the open source and architecture-independent GPlates and GMT software, and implement XML-based service interfaces and databases. EarthByte will create the foundation for an e-geoscience framework for grid-based data access and Earth process modelling by linking geological and geophysical observations to palaeogeographic models for constraining mantle convection and lithospheric deformation.Read moreRead less