ACAD108085

Applications are invited for a computational chemistry research position at the Interface Analysis Centre (IAC) facility within the University of Bristol School of Physics. The work is part of a larger program run by the AWE Nuclear Security Technologies in collaboration with University College London (UCL) and the University of Birmingham to develop next-generation scintillator materials. The work will focus on computational modelling to better understand the chemical structure and behaviour of a novel GLO scintillator (Gadolinium, Lutetium Oxide).

GLO is produced by sintering and hot-isostatic pressing of nanoscale powder. This results in a transparent, high-density, scintillator with a strong light-yield, albeit with a long afterglow. The long-term goal of the computational modelling is to predict the elemental changes required to reduce this afterglow with the least impact on light-yield.

The focus will be heavily on atomistic simulation using ab initio and classical potential-based methods using machine learning techniques where needed. However, there will also be the option to perform some materials characterisation to support the theoretical data. This is an excellent opportunity for a talented computer modeller to join an established materials characterisation facility at the IAC.

What will you be doing?

A Research Associate/Senior Research Associate candidate will investigate and model alternative formulations of the standard GLO material. They will work with AWE and utilise AWE partners and lead the manufacture of GLO variants to tailor properties of the material to suit different applications. The GLO material is a promising starting point but it currently has a long afterglow so this will be one of the primary areas to focus on (even if light yield is also reduced there would be more applications to which GLO would be suitable).

The candidate will initially conduct a literature review and investigate the computational methods required to model some new GLO formulations against current GLO and other industrial standards. Any promising results will be passed to UCL to influence their decision-making process for manufacturing the precursor. The majority of the work will focus on running simulations with the option to perform some microscopy techniques to complement the results of the computational work. AWE and their external partners will be able to investigate the new GLO formulation using their own techniques and share with US colleagues.

You have a PhD in materials science, chemistry, physics or a similar discipline or equivalent professional qualification/experience or be working towards one.

You are an experienced computer modeller with expertise in ab initio density functional theory and classical simulation of inorganic solids.

Experience with the use of FIB, electron microscopes and tools for analysis of research data are beneficial as are speciation techniques such as x-ray photoelectron spectroscopy, however, these are not a requirement and training is available.