Xiaopei XU

Dr. Xiaopei XU is a lecturer at Henan University of Technology and a recipient of the Young Scientists Fund of the National Natural Science Foundation of China. Her research focuses on transition metal nanocatalysts for new energy applications. She employs multi‑scale and mesoscale simulation methods such as density functional theory and molecular dynamics, combined with big‑data approaches like machine learning, to conduct theoretical investigations into general principles and to establish screening models for metal catalysts and materials. She will join the Department of Chemistry at the National University of Singapore as a visiting scholar in August 2026. Her current research interest focuses on generative AI models for catalytic materials

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Email:  xuxiaopei@haut.edu.cn