Xin WU

I work in computational materials science, focusing on thermophysical properties, heat transfer, and thermal management in functional materials.

My research combines molecular dynamics simulations, machine-learned interatomic potentials, and first-principles calculations to understand how heat, ions, and interfacial structures interact at the atomic scale. I am especially interested in semiconductors, energy materials, two-dimensional materials, and their heterostructures, where nanoscale heat transfer plays a critical role in device performance, reliability, and safety.

Research interests: AI for science · 2D, semiconductor, energy materials · nanoscale heat transfer · machine-learned interatomic potentials · quantum chemistry & first-principles calculations

I received my PhD in Solid Mechanics from the South China University of Technology (SCUT) in 2023, advised by Prof. Qiang Han. Along the way, I spent a year as a visiting Ph.D. researcher at the Institute of Industrial Science, the University of Tokyo, working with Prof. Masahiro Nomura — an experience that shaped much of how I think about this field.

This site is where I share my work, thoughts, and occasional notes from the research trenches. Feel free to look around, and don’t hesitate to reach out! 🤗