Multiscale electrothermal simulation of nanostructured materials and physical circuits, high-performance algorithm design and application of atomistic simulation method, mesoscience theories of nanoscale heat transfer and gas-liquid-solid phase transition, and multiscale simulation of growth and preparation process of nanostructured materials. He is also the author of beyond 40 research papers, the originator of four Chinese patents of invention and eight software copyrights.

   

  ( 1 )  Atomistic simulation toward real-scale microprocessor circuits, Chemical Physical Letters,  2022.

（2）Record atomistic simulation of crystalline silicon: bridging microscale structures and macroscale properties, Journal of Computational Chemistry, 2020.
（3） Molecular dynamics simulation overcoming the finite size effects of thermal conductivity of bulk silicon and  silicon nanowires. Modelling and Simulation in Materials Science and Engineering，2016.
（4） Petascale molecular dynamics simulation of crystalline silicon on Tianhe-1A，International Journal of High Performance Computing Applications，2013.
（5） Efficient GPU-accelerated molecular dynamics simulation of solid covalent crystals，Computer Physics Communications，2013.