Quantum theory of hydrogen bonding

Project level: PhD, Honours

Hydrogen bonding plays a central and diverse role in materials physics, chemistry and biology. It is key to the unique properties of water, the double helix structure of DNA, and the precise folding of proteins. Yet it is arguably the most poorly understood form of chemical bonding. Indeed the International Union of Pure and Applied Chemistry (IUPAC) recently gave a new definition of hydrogen bonding . This project will investigate a simple new theoretical model which may present a unified picture of the diverse forms of hydrogen bonding. Of particular interest is the role of quantum nuclear effects, i.e. how the atomic zero point motion modifies the electronic properties. This project is particularly suitable for a student interested in the challenge of working at the interface of physics and chemistry.