The aim of the Australasian Computational and Simulation Commons (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. The results of these calculations, often accumulated over decades, have general and long-term value. This project will consolidate the data held in local repositories across Australia, and make it accessible to all.

Start date 1 January 2021
Expected completion date 30 June 2023
Investment by ARDC $237,059
Lead node
1 Quantum Mechanical derived data asset
High-value data derived from Quantum Mechanical (QM) calculations on individual molecules, together with computer simulations of the dynamic behaviour of complex molecular systems, will be consolidated into a national data asset accessible through the Australasian Computational and Simulation Commons (ACSC).

Core features

Enhanced data capture and FAIR
urrent tools will be enhanced to provide search capability across multiple sources and provide API access in multiple formats.
Automated data curation and integrity
Data will be automatically curated and dynamically updated to enhance discoverability and ensure data can be presented in a consistent manner.

Who is this project for?

  • Research organisations
  • Researchers
  • Government agencies
  • Secondary and tertiary educators

What does this project enable?

The ACSC will build on two existing national scale data assets: the Automated Topology Builder (ATB) molecular repository and the ATB simulation repository. 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. The consolidated data asset will open new avenues of research and ensure high level computational data is accessible to all.

Handy resources

University of QueenslandVisit
Curtin UniversityVisit
ANUVisit
University of WollongongVisit
Monash UniversityVisit
The University of MelbourneVisit
University of Technology SydneyVisit
Griffith UniversityVisit
Latrobe UniversityVisit
Adelaide UniversityVisit