The Pawsey Supercomputing Centre


In silico design of robust porous materials for energy and environmental applications

By Daniel Bartels • June 19th, 2015

Hybrid porous materials have the potential to outperform other candidate materials for application in selective storage and release of clean fuels such as hydrogen or methane and in detecting and separation of toxic gases. However, choosing the right material for the operating conditions is highly time consuming and costly, thus creating significant challenges that remainmore…

Computational x-ray absorption spectroscopy for materials science

By Daniel Bartels • June 19th, 2015

This project will use theoretical methods such as density functional theory to calculate the response of materials to soft x-rays. The goal is to generate computational spectra to compare with experimental spectra derived from x-ray absorption (NEXAFS) and photoemission (XPS) experiments carried out locally and at the Australian Synchrotron. Deep insight into the electronic andmore…

Development of Design and Analysis Methods for Blast Resistant Window Structures

By Daniel Bartels • May 28th, 2015

A team led by Professor Hong Hao is using the Pawsey Supercomputing Centre to develop improved design guidelines for blast resistant windows. The research started at The University of Western Australia in 2011 and continued at Curtin University after Professor Hao moved to Curtin in March 2014, with the research completed in December. The projectmore…

Mechanisms of Adsorption in Novel Nanoporous Materials and their Characterisation

By Daniel Bartels • February 18th, 2015
Mechanisms of Adsorption in Novel Nanoporous Materials and their Characterisation

Adsorption continues to be an active area of research due to its industrial importance, not only in chemical industry but also in other fields, such as environmental pollution control and energy utilization. The design and optimisation of industrial adsorption process relies upon the theoretical understanding of observed phenomena. Experimentally, the data is a complex function of variousmore…

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