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MMM Hub Software Spotlight: Chemshell

25 April @ 1:00 pm 2:15 pm


To coincide with Thomas Keal’s Inagural Lecture on 27th April 2023, You Lu from STFC has been invited to showcase the capabilities of the ChemShell package from a research perspective, as well as spending time looking at exactly how the code can be efficiently run in practice – in particular multinode jobs on Young.  

Future talks aim to include commonly codes used on Young, such as Quantum ESPRESSO and Casino and include some emerging technologies such as machine learning with Keras, Tensorflow and Torch

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