WELCOME TO THE OH LAB!

Our group uses computational chemistry, artificial intelligence, and mathematical modelling to study how molecules behave and interact at the atomic scale. We develop machine learning-based models that connect molecular simulations with experimental science, with applications in drug design, biophysics, and sustainable chemistry. 

Our current areas of interest include (1) hypoxia-inducible factor prolyl 4-hydroxylase inhibitors, (2) cellular and plasma retinol-binding proteins, (3) electrochemical CO2 reduction, and (4) data-driven collective variable discovery.