Computational Materials Scientist

At Amentum, we're not just solving problems; we're engineering the future. Our team is driven by an unyielding commitment to innovation, integrity, and collaboration, tackling some of the most significant challenges in science, security, and sustainability. If you're passionate about making a real impact and want to be part of a community that values ethical excellence, this is the place where your ambition can thrive.

Here, we believe that success comes from continuously pushing boundaries and working together to deliver on our promises. We embrace challenges with confidence and are dedicated to creating a secure and vibrant future for all.

We’ll inspire and empower you to deliver your best work so you can evolve, grow and succeed – today and into tomorrow.  We offer an exciting range of opportunities to develop your career within a supportive team who always strive to do the right thing for our people, clients and communities.

Work-life balance and flexibility is a key focus area for us. We’re happy to discuss hybrid, part-time and flexible working hours, patterns and locations to suit you and our business.

About the Opportunity

We are seeking a Computational Materials Scientist to join our Advanced Systems & Consultancy Sub-Division of our Technology Division. We have a growing team of materials modellers and are looking for someone to join this high-performing group, who can help us reach our goals of becoming a world leading research centre.

This role focuses on the development of mechanistically informed models to predict degradation behaviour in materials. The role requires a preexisting knowledge and skill set in one or more of the following modelling methods: molecular dynamics, density functional theory, kinetic rate theory, CALPHAD or machine learning. The role will utilise these skills to model the behaviour and degradation of reactor core materials, particularly cladding and fuel, and their performance under in‑reactor conditions.

You will join the Structural Integrity and Materials Engineering (SIME) team, with opportunities to collaborate across other teams and broaden your expertise in modelling methods.

Key Responsibilities

• Design and implement atomistic simulations to support mechanistic understanding of materials in extreme environments.

• Support the development of modelling programmes and emergent modelling techniques.

• Analyse data and prepare technical reports to deadlines.

• Collaborate with the experimental teams to inform predictive models.

• Write and review technical reports to deadlines.

• Interface with external stakeholders and contribute to multipartite research programmes.

• Build links with academic institutes and actively scope new research projects.

Here's What You’ll Need

• PhD (or near completion) in materials science, mathematical modelling, computational chemistry or a related discipline.

• A preexisting knowledge and experience with one or more of the following modelling methods: molecular dynamics (e.g. LAMMPS, GROMACS), density functional theory (VASP, Quantum ESPRESSO), kinetic rate theory, CALPHAD (Thermo-Calc) or machine learning frameworks/tools.

• Basic proficiency in Python for scientific computing and data analysis.

• Solid foundation in handling and analysing large data sets.

• Ability to work collaboratively in a scientific environment.

Our Culture

Our values are built on a strong foundation of safety, integrity, and respect for every individual. People are at the heart of our mission, and we believe in supporting one another through a culture of care and collaboration.

We strive to create a workplace where everyone feels they belong and can thrive. Supporting mental wellbeing and fostering a sense of connection are essential to how we work.

When we embrace different perspectives and work together, we become more innovative, more agile, and more successful.

We partner with VERCIDA, for greater online accessibility please visit www.vercida.com to view and access our roles. As a Disability Confident employer, we will interview all disabled applicants who meet the minimum criteria for a vacancy. We welcome applications from candidates who are seeking flexible working and from those who may not meet all the listed requirements for a role.

If you require further support or reasonable adjustments with regards to the recruitment process (for example, you require the application form in a different format), please contact the team.