Large language models for material property predictions: elastic constant tensor prediction and materials design
A multifunctional LLM for predicting finite temperature elastic constant tensor, RAG-enhanced prediction, and inverse material design.
Authors
- Tongqi Wen (ORCID: https://orcid.org/0000-0003-1692-2512)
- David J. Srolovitz (ORCID: https://orcid.org/0000-0001-6038-020X)
- Beilin Ye
- Siyu Liu (ORCID: https://orcid.org/0000-0003-3557-4584)
- Han Liu (ORCID: https://orcid.org/0000-0002-5269-8477)
- Yang Ren (ORCID: https://orcid.org/0000-0001-9831-6035)
- Zhuoyuan Li (ORCID: https://orcid.org/0009-0003-7370-4068)
Institutions
- City University of Hong Kong (HK)
- University of Hong Kong (HK)
Publication Details
- Journal
- Digital Discovery
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dd00061k
- Citations
- 3
- Primary Topic
- Machine Learning in Materials Science
- Type
- article
- Field-Weighted Citation Impact
- 1.55
Funders
- University of Hong Kong
- Materials innovation institute