Modeling/simulations of molecular systems (08/11/2021 - 09/11/2021)

The SimEA research team hosted a two day online training event that aimed to introduce participants to modelling and simulations using supercomputers. The training consisted of the following topics:

  • Monday (08/11/2021)
10 - 13 Creating molecular configurations
14 - 17 Introduction to Density Functional Theory (DFT)

  • Tuesday (09/11/2021)
10 - 13 Classical Molecular Dynamics simulations
14 - 17 Multiscale modeling: Back-mapping for coarse-grained macromolecules

 

You can find the training videos online on the CaSToRC youtube channel: SimEA playlist

 

HPC Advanced Training Event (13/09/2021 - 14/09/2021)

This event focused on more advanced aspects of HPC and included GPU Programming, Data Analytics, Machine Learning, AI and Deep Learning. Many of the sessions were recorded:

For further information on this event, please visit the CaSToRC website.

 

AI and HPC for industry (28/06/2021 – 29/06/2021)

This two-day event focused on the use of AI coupled with HPC to accelerate the competitiveness of businesses or organisations. It involved an introduction to the National Competence Center and the SimEA project. The focus was on the use of AI and HPC to accelerate a business' workflow; opportunities for collaboration between CaSToRC and industry were presented. Our industrial collaborators NovaMechanics, Axia Valuers, Hyperion, and RetailZoom participated in this event. For further information on this event, please visit the CaSToRC website.