Zhicheng Zhong

Data-Efficient Adaptation of DPA-4 Force Fields to DFT+U Energetics: A Case Study in NiO

The results show that incorrect source-level phase energetics can be reversed through target-level fine-tuning, and suggest a practical multi-fidelity strategy in which pretraining prioritizes broad, consistent, and affordable data, while compact target-level datasets impose energetics through application-specific fine-tuning.