Understanding structure and dynamics at complex liquid-solid interfaces

A basic aim in chemistry is to understand and control the structure of materials at the atomic scale. We now have many tools at our disposal to characterise and manipulate atomic structure under "clean" conditions e.g., under vacuum. But clean conditions are the exception, not the rule.

In the Cox Group, we aim to shed light on how the surrounding solution environment (in essence, salty water) affects the structure and dynamics of materials. We place a particular emphasis on charged surfaces, as not only are these common across science and technology, but they also act as a handle that we can use to control a material's properties via the solution environment.

A home fees studentship is available for research in this area. The exact nature of the project can be tailored to the individual, but might include:

• Using molecular simulations to understand the nucleation and growth of ionic crystals;
• Developing machine learned interatomic potentials to understand liquid-solid interfaces;
• Developing and using molecular simulations to better understand electrochemical systems;
• Developing and applying new simulation techniques to understand flow at the nanoscale;
• Establishing new theories to accurately, and efficiently, describe solvation phenomena.

A background in theoretical chemistry (or a related discipline) is highly desirable. Please contact Dr Stephen Cox for informal inquiries.