WELCOME TO THE OH LAB!

The Oh Lab is a theoretical and computational chemistry group that formulates and solves forward and inverse problems in chemistry: predicting molecular behaviour from microscopic interactions and, conversely, inferring the underlying mechanisms and properties from molecular observations. In particular, we combine molecular simulation, interpretable AI, and mathematical modelling to develop new models and methods and uncover the physical principles governing molecular recognition, conformational dynamics, membrane permeation, and interfacial solvation, with applications to fundamental problems relevant to human health and therapeutic design.