5 papers
Fully coherent short wavelength free-electron laser driven by a single sub-microjoule seed
Lanpeng Ni, Zheng Qi, Xingtao Wang +33
High-repetition-rate, fully coherent extreme-ultraviolet (EUV) and X-ray free-electron lasers (FELs) are essential for advanced time-resolved ultrafast spectroscopies. While extern…
An AI-ready fine-tuning framework for accurate machine-learning interatomic potentials in solid-solid battery interfaces
Xiaoqing Liu, Xinyu Yu, Yangshuai Wang +6
Atomistic modeling of solid-solid battery interfaces is essential for understanding electro-chemo-mechanical coupling, but the complex interfacial chemistry and heterogeneous envir…
Beyond Adam: Disentangling Optimizer Effects in the Fine-Tuning of Atomistic Foundation Models
Xiaoqing Liu, Yangshuai Wang, Teng Zhao
Atomistic foundation models constitute a paradigm shift in computational materials science by providing universal machine-learned interatomic potentials with broad transferability…
Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial on Methods and Applications
Xiaoqing Liu, Kehan Zeng, Zedong Luo +3
Universal machine-learned interatomic potentials (U-MLIPs) have demonstrated broad applicability across diverse atomistic systems but often require fine-tuning to achieve task-spec…
A Study on the Fine-Tuning Performance of Universal Machine-Learned Interatomic Potentials (U-MLIPs)
Xiaoqing Liu, Kehan Zeng, Yangshuai Wang +1
Universal machine-learned interatomic potentials (U-MLIPs) have demonstrated effectiveness across diverse atomistic systems but often require fine-tuning for task-specific accuracy…