Discovery Projects - Grant ID: DP0877908

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0877908

Funding Status
Closed

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Funded Activity Summary

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.

Funded Activity Details

Start Date: 01-11-2008

End Date: 31-12-2012

Funding Scheme: Discovery Projects

Funding Amount: $360,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Chemical Thermodynamics And Energetics | Thermodynamics And Statistical Physics | Mathematical Physics | Statistical Mechanics

ANZSRC Socio-Economic Objective (SEO)

Chemical sciences | Physical sciences | Mathematical sciences |

Other Keywords

Chemical Thermodynamics And Energetics | Chemical sciences | Mathematical Physics | Mathematical sciences | Physical sciences | Statistical Mechanics | Thermodynamics And Statistical Physics

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