Machine learning potential-assisted design of thermoelectricvperformance in anharmonic CsPbBr3 and CsPbI3†
The structural stability and thermoelectric properties of halide perovskites were investigated using a combination of machine learning approaches and density functional theory (DFT). A neuroevolution potential (NEP) was trained via...
Authors
- Keke Song
- Yanjing Su (ORCID: https://orcid.org/0000-0003-2773-4015)
- Yuanyuan Chen
- Shuo Cao
- Ping Qian
- Yu Bao
Publication Details
- Journal
- Journal of Materials Chemistry C
- Published
- 2026-01-01
- DOI
- https://doi.org/10.1039/d6tc00498a
- Primary Topic
- Perovskite Materials and Applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00