Screening for novel materials using machine learning
Title: Screening for novel materials using machine learning
SNIC Project: 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:

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