Chengwei Dong

I am a PhD student at Theoretical Chemistry Institute at University of Wisconsin-Madison, where I study molecular dynamics and machine learning. My PhD advisor is Prof. Xuhui Huang. Prior to that, I completed my BS in Chemistry at Peking University, where I worked on molecular docking methods in Prof. Yi Qin Gao’s group.

My research focuses on developing physics-informed AI methods for biochemical discovery. In particular, I am interested in utilizing generative models for molecular simulation, aiming to overcome the timescale limitations in our understanding of complex molecular systems, and thereby facilitating the rational design of molecules. Besides, I collaborate with experimental researchers on in silico directed evolution for protein engineering.

• Molecular Simulation: Dynamics, Multiscale Modelling, Enhanced Sampling.
• Machine Learning: Generative Models, Geometrical Deep Learning.