Research Associate (Data-driven Modelling of Grain Boundaries)

We are looking for a new team member for the modelling group of Prof Chris Race to work on a Royal Society funded research project exploring fundamental properties of grain boundaries.
Polycrystalline metals contain a wide variety of grain boundaries, which play an important role in determining their properties. Atomistic simulation is a key tool in predicting and understanding those properties, but to date simulations have focused only on a narrow subset of special boundaries, unlikely to be representative of the true variety in nature. We are working on establishing methods and developing open-source tools suitable for the study of general grain boundaries.
Many metal properties depend on the segregation of alloying elements and impurities to grain boundaries. This process will depend both on the chemistry of interaction between the segregating species and the host phase and on details of the available sites for segregation in the grain boundary.
To capture chemistry, we need to use techniques such as density functional theory, but direct modelling of general grain boundaries requires large simulations, beyond the reach of such costly methods. To break this impasse, you will work to establish both physically motivated and data-driven models which allow the general segregation behaviour to be predicted with a small number of affordable calculations. To do this you will use a rich set of data concerning grain boundaries in aluminium that we have recently generated using density functional theory.
We are looking for an enthusiastic communicator and team player, with a commitment to best practice in open and reproducible science and a keenness to address real-world challenges. You will be an independent-minded researcher, capable of directing your own research and managing your own time, with a willingness to contribute to group activities, including helping to supervise PhD students.
Amongst other benefits, we offer 41 days annual leave (including closure days and Bank Holidays), with the possibility to purchase up to ten additional days, and up to 5 days of paid time off to cover emergency caring responsibilities. We have a commitment to work life balance including flexible working opportunities and hybrid working where possible, with the possibility of holding this post on a part-time basis.
The role will involve significant interaction with UKAEA and is an excellent opportunity to form or deepen links with the growing academic and industrial fusion energy research community.