Discovery Projects - Grant ID: DP150101129

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/API/grants/DP150101129

Funding Status
Closed

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Funded Activity Summary

Accurate and fast quantum simulation to predict chemistry. Quantum mechanical simulation is the most accurate tool available for predicting and understanding chemical reactions. Traditional techniques for performing quantum mechanical simulations of molecular collisions and reactions cannot be applied to more than five or six atoms, meaning that it is not possible to study most chemical reactions in full detail. In this project a new technique for performing these accurate simulations, recently invented at the Australian National University and allowing the study of much larger systems, will be developed and applied to important outstanding problems in chemical dynamics, ranging from roaming in formaldehyde to atom migration in proteins.

Funded Activity Details

Start Date: 06-2015

End Date: 03-2019

Funding Scheme: Discovery Projects

Funding Amount: $325,500.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Numerical Solution of Differential and Integral Equations | Reaction Kinetics and Dynamics | Theoretical and Computational Chemistry | Atomic and Molecular Physics

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | Expanding Knowledge in the Mathematical Sciences |

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