WELCOME TO THE OH LAB!

The Oh Lab is a theoretical and computational chemistry group focused on the following question: "How can we infer hidden molecular states, dynamics, and properties from observable molecular information?" We are interested in molecular inference: extracting collective motions and physicochemical properties from molecular representations and observables. In particular, we combine molecular simulation, interpretable AI, and mathematical modelling to develop new statistical and computational methods and uncover the physical principles governing various chemical and biological processes, including molecular recognition, conformational dynamics, membrane permeation, and interfacial solvation. We ultimately aim to translate these insights into problems relevant to human health and therapeutic design.