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 & machine-learned interatomic potentials
• Nanoscale heat transfer & thermal management
• 2D, semiconductor & energy materials
• Quantum chemistry & first-principles calculations

Background

I received my PhD in Solid Mechanics from the South China University of Technology (SCUT) in 2023, advised by Prof. Qiang Han. I also spent a year as a visiting PhD researcher at the Institute of Industrial Science, The University of Tokyo, working with Prof. Masahiro Nomura.