Evolutionary computing and machine learning for discovering of low-energy defect configurations
Abstract Density functional theory (DFT) has become a standard tool for the study of point defects in materials. However, finding the most stable defective structures remains a very challenging task as it involves the solution of a multimodal optimization problem with a high-dimensional objective fu...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | article |
| Language: | EN |
| Published: |
Nature Portfolio
2021
|
| Subjects: | |
| Online Access: | https://doaj.org/article/a88de3e9469f4940a039fdef29558a9d |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|