Research Investment
Researchers: Professor Alan Mark (Principal investigator) , Professor Alan Mark (Principal investigator)
Brief description The aim of the ACSC is to consolidate, store and distribute high-value Quantum Mechanical (QM) and simulation data. Data derived from Quantum Mechanical (QM) calculations on individual molecules together with computer simulations of the dynamic behaviour of complex molecular systems play a central role in areas ranging from drug and materials design to understanding the function of cellular components. Until recently, repeating these calculations was often as efficient as storing the results. Today, the size and complexity of the systems considered mean that these calculations represent very large investments of time and resources, consuming a major proportion of the nations computational resources. Given the utility of the data and the magnitude of the investment, there is a pressing need for this data to be centralized, organized and shared. Consolidation of data will facilitate the development and validation of methodology, aid the interpretation of experimental data, and provide a starting point for future research.
Amount 237,059.00 AUD
Scheme National Data Assets Australian Data Partnerships Program
- DOI : 10.47486/DP723
