Haibo Yu

Haibo Yu is Professor at the University of Wollongong's School of Science, leading research in computational chemistry and biophysics. His group develops theoretical models for biomolecular systems and nanoscale phenomena.

Research interests span QM/MM method development, enzyme reaction mechanisms, nanobody engineering, and computer-aided drug design. Recent work validates computational accuracy in biomolecular simulations.

Lab activities include ARC-funded projects on hydrogen storage molecules and mentorship of doctoral candidates in molecular modeling.