Generative structure search for efficient and diverse discovery of molecular and crystal structures
Fuente:
arXiv
Guardado en:
| Autores principales: | Qin, Yifang, Shi, Yu, Tan, Junfu, Liu, Chang, Zhang, Ming, Lu, Ziheng |
|---|---|
| Formato: | Preprint |
| Publicado: |
2026
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
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