ARC Future Fellowships - Grant ID: FT170100373

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/FT170100373

Funding Status
Closed

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Funded Activity Summary

Quantum chemical methods: From wavefunction to density functional theory. This project aims to address a major challenge in quantum chemistry - how to extend the applicability of high-level quantum chemical methods to larger molecules. High-level quantum chemical methods can consistently obtain reliable thermochemical and kinetic data, but due to their steep computational cost, they are only applicable to relatively small molecules. The project expects to introduce new concepts and methodologies that build on recent breakthrough research in the field of ab initio computational chemistry. The new methods should be capable of energetic predictions of unprecedented accuracy for relatively large systems across the Periodic Table and will be used for the development of better density functional theory procedures.

Funded Activity Details

Start Date: 27-12-2017

End Date: 28-02-2022

Funding Scheme: ARC Future Fellowships

Funding Amount: $880,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Theoretical and Computational Chemistry not elsewhere classified | Quantum Chemistry | Theoretical and Computational Chemistry

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences |

Other Keywords

Expanding Knowledge in the Chemical Sciences | Quantum Chemistry | Theoretical and Computational Chemistry | Theoretical and Computational Chemistry not elsewhere classified

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