Snapshot of a deep learning simulation

Title Snapshot of a deep learning simulation
Description Snapshot of a deep learning simulation of more than 10,000 beryllium atoms. The distribution of electrons in this material is visualized as red (delocalized electrons) and blue (electrons located close to the atomic nuclei) point clouds. This simulation is not feasible using conventional DFT calculation. Thanks to MALA, it was accomplished within about 5 minutes employing just 150 central processing units. Graphical filters have been used to increase the intelligibility of the simulation. The white areas at the fringes are also due to the filters. The scheme in the background hints at how deep learning works.
Copyright HZDR / CASUS
Picture Id 69681
Date 06.07.2023
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