Crystal structure generation with autoregressive large language modeling
Abstract The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. However, most current methods for crystal structure prediction are computationally expensive, slowing the pace of innovation. Seedin...
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-12-01
|
| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-024-54639-7 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|