Australasian Computational and Simulation Commons (ACSC)

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

Co-investment partners

University of Queensland

Curtin University

ANU

University of Wollongong

Monash University

The University of Melbourne

University of Technology Sydney

Griffith University

Latrobe University

Adelaide University

Lead node

1 Data ingest guidelines

Guidelines written for incorporation and curation of new data into the simulation repository.

2 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).

3 Web interfaces

Updated web interfaces incorporate functionality to improve the user experience.

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.