About me

I am a Postdoctoral Researcher at Westlake University (China), in the Multiscale Materials Modelling group of Prof. Shi Liu.

My research spans electronic structure theory and molecular dynamics, with a focus on DFT based simulation, machine learning interatomic potentials, and first-principles method development. I am an active user and developer of the CP2K electronic structure package.

A recent focus of this work is DeepPolaron, a machine learning approach to modelling small polaron transport. The methodology is described in a preprint on arXiv, with an implementation currently being integrated into DeePMD-kit.

I am always happy to discuss potential collaborations, answer research questions, or give talks about my research.