Screening for novel materials using machine learning
Title: |
Screening for novel materials using machine learning |
DNr: |
Berzelius-2022-192 |
Project Type: |
LiU Berzelius |
Principal Investigator: |
Rickard Armiento <rickard.armiento@liu.se> |
Affiliation: |
Linköpings universitet |
Duration: |
2022-11-16 – 2023-03-01 |
Classification: |
10304 |
Keywords: |
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Abstract
We want to run a performance and scaling test of the GPU performance of our own Python-based software to investigate the possibility of a large-scale coarse-grained screening of possible crystal structures via their symmetries using the machine learning model published in https://doi.org/10.1126/sciadv.abn4117