Discovery Projects - Grant ID: DP0558228

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0558228

Funding Status
Closed

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Funded Activity Summary

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.

Funded Activity Details

Start Date: 01-01-2005

End Date: 31-12-2008

Funding Scheme: Discovery Projects

Funding Amount: $233,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Data Storage Representations | Data Format | Numerical Analysis | Quantum Chemistry

ANZSRC Socio-Economic Objective (SEO)

Application packages | Chemical sciences | Mathematical sciences |

Other Keywords

Application packages | Chemical sciences | Data Format | Data Storage Representations | Mathematical sciences | Numerical Analysis | Quantum Chemistry

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