Lead Chief Investigator

Peter M Gill Theoretical Quantum Chemistry, RSC, Australian National University

Project Title

Development and application of new quantum chemistry algorithms

Brief Description for General Publications

Quantum chemistry has been highly successful for the prediction of the chemical behaviour of small molecules. Now, however, attention is turning to the development and extension of these algorithms so that they can be applied to much larger chemical problems, especially those of biological interest. If such algorithms can be successfully developed and implemented, it will have a major impact on research in the physical, chemical, biological and medical sciences. Because our target systems are large, we require the state-of-the-art NCI computational facilities.