Jonathan Barnsley ChemPhotoChem Cover

Tinkering with Solar Cells To Improve New Material Designs

"People who have a deep understanding of NeSI’s systems and computational modelling are an incredible resource and we are glad to have access to the resources that NeSI provides.”
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Next level HPC: NeSI user wins access to one of the world’s top supercomputers

“I know I can write to NeSI whenever I need to. They’re incredibly intelligent, incredibly supportive, and the turnaround time on solutions is just wonderful."
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Kiwi chemists develop new analysis tool

“Without a doubt, we would not have been able to undertake the development work for this project as quickly or efficiently without the support from NeSI.”
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Golden mystery solved

A long-standing discrepancy between experiments and theory concerning the electronic properties of gold has now been resolved.
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Modelling heterogeneous catalysis

"The successful utilisation of NeSI infrastructure for her research made Dr Anna Garden a local expert fully capable of helping out experimental chemists at the University of Otago."
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Atomistic behaviour

New frontiers for milk proteins: functional foods and drug delivery systems

“Our ongoing use of NeSI has allowed us to investigate the process of adsorption of b-Lactoglobulin at different oil/water interfaces, and so determine the physico-chemical forces that govern adsorption behaviour.”
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Cellulose unchained

“NeSI is an amazing resource for the New Zealand science community. Not only is our dream to unchain the structure of cellulose within reach, it looks like we will be able to achieve it more smartly and quickly than ever.”
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Molecular fingerprinting

"Access to the increased computing capacity of the NeSI supercomputers facilitated Dr Sibaev's research by speeding up the rate at which he was able to generate the data required for his project."
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Quasi-2d Gallium Nanomaterials

Through an extensive series of computational simulations and analysis on NeSI’s Pan and Foster systems, Dr Krista G. Steenbergen and Dr Nicola Gaston have recently unlocked the secret to greater- than-bulk melting of gallium nanoclusters.
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Indomethacin

Predicting druglikeness in new compounds

A Case Study prepared by Daniel Moscoh Ayine-Tora and Jóhannes Reynisson of the School of Chemical Sciences, University of Auckland
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