Video use case: exploring new materials with LUMI

In this video use case, Professor of Theoretical Physics Kristian Sommer Thygesen (Technical University of Denmark, DTU) tells how his research group is using HPC to explore new materials based on quantum-mechanical equations. He also tells about his research team’s LUMI Grand Challenge project:

– We got around 10,000 materials calculated in just 2 hours. But the main takeaway from this was that we learned a lot about how to work with such a computer, a monster of a computer, because it’s really amazing how much computing power a computer like LUMI has.

Have a look at his presentation “Computing the properties of all known inorganic crystals”, presented at the DeiC Conference 2023:

This use case represents one out of a total of seven HPC use cases that were presented and filmed at the DeiC Conference 2023. Together, they represent the broad application of HPC within STEM, Humanities, and Social Sciences at Danish universities, and the significant value that HPC creates for Danish research. This video was originally published on the DeiC website. Have a look at the other use case videos from the conference on the DeiC website (scroll down the page).