Chemistry and AI Modeller

UKNNL has a vision for Equality, Diversity and Inclusivity (ED&I) which aims to be an inclusive workplace that attracts diverse talent through transparent and equal policies and procedures. We want you and the diverse mix of people that we employ, customers that we service and stakeholders that we influence to feel valued. We encourage a workplace culture where everyone can thrive with a sense of belonging.

The salary range for this position is £51,166 to £53,072 (Grade 4B).

If you have any queries regarding the position itself please contact Mark Bankhead.

Please be aware that all new appointments will be made in-line with the PLC ‘New’ terms & conditions. Therefore, if you are not already on PLC ‘New’ terms & conditions and you are selected and accept this role, there will be changes made to your contractual terms. The terms and conditions of the role will be made clear in the offer letter.

If you have any queries about the impact of applying for this role on your terms & conditions, pay, pension or benefits, please contact the HR Support Team.

Job Description for Chemistry and AI Modeller:

This is where your skills play a critical role in keeping everyone safe. Working in Safety, Security & Safeguards gives you the chance to make your mark on some hugely interesting projects. UKNNL does work that nobody else in the sector is doing, and this means we need experts like you to make it possible, whilst keeping everyone safe. We’re committed to using nuclear science to benefit society for years to come. This means that you can build a long and successful career here whilst playing a meaningful role in delivering cleaner energy, reducing waste and keeping colleagues and the public out of harm’s way.

UKNNL has the purpose of “nuclear science to benefit society” which is supported by four focus areas: Clean Energy; Environmental Restoration; Health and Nuclear Medicine; Security and Safeguards. The Chemical Modelling team (CM) use computational modelling to address challenges within those focus areas, aligned to our purpose.

Within the focus area of Clean Energy, Environmental Restoration and Security and Non‑proliferation we work across several areas including fuel performance for advanced nuclear reactors (advanced modular reactors) and other areas including heat applications from nuclear systems. Projects include work to develop flowsheets for synthesis of hydrogen utilising nuclear energy and projects understanding the behaviour of nuclear fuel under irradiation. Within the focus area of Environmental Restoration, we use process models to support the decommissioning of legacy nuclear facilities, for example by supporting plants and technologies that store radioactive waste, treat wastewater, and immobilise waste, thus minimising its environmental impact. We develop chemical models to underpin these flowsheets for chemical plants supporting the clean up and decommissioning of Sellafield site.

Our capability is based on our ability to model chemistry across different length and time‑scales (multi‑scale modelling). Core capabilities include Density Functional Theory, Molecular Dynamics Simulation, thermodynamic modelling (Calphad and aqueous methods for modelling solubility and speciation, such as those in PHREEQC) and rate theory modelling. Increasingly, AI is an important capability, and knowledge and practical experience of AI & Machine Learning is essential.

The chemical modelling team consists of a combination of scientists and engineers at PhD level. We are a small vibrant team, the majority of whom are early in their nuclear energy career. In joining our team, the successful candidate will have the opportunity to work on a wide range of industrially relevant problems.

For this vacancy we require a candidate with molecular dynamics expertise to take on several current and future projects in this area, however the role is adaptable, with further opportunities to develop new skills in support of UKNNL’s mission. Applications include nuclear fuel and structural materials modelling, waste modelling, physical property predictions. The candidate will have the opportunity to develop their own niche in this area and expand into supporting different areas of the business. Collaboration with research organisations on projects is increasingly important to UKNNL, and experience of developing and delivery of UKRI funded research projects is highly desirable.

Main Responsibilities for Chemistry and AI Modeller:

• Identify opportunities working with commercial functions and customers and prepare scopes of work under direction of a technical lead.
• Develop partnerships with academia and industry to develop opportunities for UKRI funding.
• Develop expertise in their field supporting UKNNL in the delivery of its mission against focus areas including clean energy and environmental restoration.
• Deliver work to customers against a pre‑defined schedule, agreed budget and to a high level of technical quality.
• Report progress to team and project managers, flagging up issues and opportunities that arise when delivering the work.
• Develop and maintain models including bespoke coding in scientific programming languages as required.
• Carry out computer simulations as part of research and development activities.
• Report findings to customers via technical reports.
• Present work to customers and other external stakeholders.

Essential Criteria for Chemistry and AI Modeller:

• Hold a 1st degree in Chemistry or a closely related subject.
• PhD in related discipline including modelling the chemistry of materials using atomic scale simulation.
• Experience of machine learning and statistical methods.
• Experience of writing technical reports and/ or journal publications as first author.
• Ability to obtain BPSS level security clearance (this includes but is not limited to identity, employment and criminal record checks).

Desirable Criteria for Chemistry and AI Modeller:

• Experience of molecular dynamics simulation and other classical methods for atomic scale simulation such as Grand-Canonical or kinetic Monte Carlo.
• Programming/ development experience with a scientific programming language (Matlab, Python, R, Fortran etc).