2 papers
cond-mat.mtrl-sci2026
Universal and Experiment-calibrated Prediction of XANES through Crystal Graph Neural Network and Transfer Learning Strategy
Zichang Lin, Wenjie Chen, Yitao Lin +2
Theoretical simulation is helpful for accurate interpretation of experimental X-ray absorption near-edge structure (XANES) spectra that contain rich atomic and electronic structure…
cond-mat.mtrl-sci2024
AI-Driven Accelerated Discovery of Intercalation-type Cathode Materials for Magnesium Batteries
Wenjie Chen, Zichang Lin, Xinxin Zhang +2
Magnesium-ion batteries hold promise as future energy storage solution, yet current Mg cathodes are challenged by low voltage and specific capacity. Herein, we present an AI-driven…