Skip to main content

Last week we were at the “Modelling Materials at Realistic time Scales via Optimal Exploitation of Exascale Computers and Artificial Intelligence” co-organized by CECAM in IRIS Adlershof of the Humboldt-Universität in Berlin!

It was an amazing workshop on understanding the micro-structure of materials under realistic conditions using a repertoire of advanced computational methods such as molecular dynamics with enhanced sampling, ab initio molecular dynamics, and quantum chemical methods by leveraging the exascale compute power.

Here are some pictures from the workshop. And feel free to download C2CAT’s poster using the QR code or this link:

The workshop ended with a 2-days hands-on session by experts focusing on coupling advanced sampling and ab initio methods using state-of-the-art and open-source software such as i-PI, QBox and SSAGES.

Link to the event: 


Author C2CAT

More posts by C2CAT