Overview
We are seeking an ambitious and talented Postdoctoral Research Associate with expertise in materials modelling. You will join an exciting team using protein mediated methods to explore the synthesis of functional inorganic materials. You will be developing modelling methods to explain and predict how molecular additives can be used to control the formation of particular phases and produce the desired properties. This will be in conjunction with a cutting-edge experimental team in the School of Chemical, Materials and Biological Engineering, and is part of an Advanced Research + Invention Agency-funded project, subject to contract negotiations.
Main duties and responsibilities
The project will involve the use of atomic scale simulations to study the interactions of protein based molecular systems with different ions, clusters and particle interfaces in solutions. These simulations will focus on identifying the key features involved in the interactions. This information will be used to explain and verify experimental characterisation and synthesis results from the experimental team. Moving forward with these results we will then be looking to refine the design of the protein systems in collaboration with external partners in protein sequence engineering. Simulations will also be used to examine how molecular systems can be used to control the morphology of crystal units and potentially generate defects or incorporate into the crystal systems to alter the functional properties of the materials. Finally, a set of design principles and predictive models will be built based on the data produced to guide the development of molecular additives and control parameters for the production of other functional materials.
Perform molecular dynamics simulations on molecular systems in conjunction with particle interfaces and solvated ions.
Develop forcefields for the study of inorganic materials and their interactions with water and solvate ions.
Develop methods to interpret the level of interactions between molecular systems and inorganic units. Extend this to phase and morphology predictions.
Connect these simulation results with experimental results to generate interpretation of data and guide experimental processes.
Build predictive models for the design of molecular additives in conjunction with the team and external partners.
Help to supervise PhD and Masters students as required.
Play an active role in the work and activities of the team as a whole including impact events.
Carry out other duties, commensurate with the grade and remit of the post.
Person Specification
Our diverse community of staff and students recognises the unique abilities, backgrounds, and beliefs of all. We foster a culture where everyone feels they belong and is respected. Even if your past experience doesn't match perfectly with this role's criteria, your contribution is valuable, and we encourage you to apply. Please ensure that you reference the application criteria in the application statement when you apply.
A good honours degree in a relevant subject
Hold a PhD or be close to completion (or have equivalent experience) in materials science, physical science or another relevant discipline.
Experience in the use of a range of simulation techniques, particularly in the area of classical molecular dynamics
Experience of modelling Molecular Systems
Experience of modelling inorganic salts and magnetic systems
Experience in the writing of scientific computer programs and scripts
Ability to initiate, plan, organise, implement and deliver programmes of work to tight deadlines.
Excellent written and spoken communication skills
Excellent IT skills including Microsoft Office packages
Ability work independently and as part of a team
Further Information
£38,784 - £44,746 per annum
Full-time (35 hours per week)
End date 29th February 2028, with the possibility to extend to 31st August 2029 subject to review
If you do not currently hold the right to work in the UK, you can find more information here to help determine your visa eligibility. Additional guidance is also available on the UK Visa & Immigration website.
https://sheffield.ac.uk/cmbe
For informal enquiries about this job, contact Dr Rebecca Boston, Project Lead: on
[email protected] or on
0114 222 5496. Next steps in the recruitment process
It is anticipated that the selection process will take place mid-August. This will consist of an interview. We plan to let candidates know if they have progressed to the selection stage two weeks after the closing date. If you need any support, equipment or adjustments to enable you to participate in any element of the recruitment process you can contact
[email protected].
Our vision and strategic plan
We are the University of Sheffield. This is our vision: sheffield.ac.uk/vision ().
What we offer
A minimum of 41 days annual leave including bank holiday and closure days (pro rata) with the ability to purchase more.
Flexible working opportunities, including hybrid working for some roles.
Generous pension scheme.
A wide range of discounts and rewards on shopping, eating out and travel.
A variety of staff networks, providing opportunities for social interaction, peer support and personal development (for example, Race Equality, LGBT+, Women’s and Parent’s networks).
Recognition Awards to reward staff who go above and beyond in their role.
A commitment to your development access to learning and mentoring schemes; integrated with our Academic Career Pathways
A range of generous family-friendly policies
paid time off for parenting and caring emergencies
access to menopause support in the workplace
paid time off and support for fertility treatment
and more
We are a Disability Confident Leader (opens in a new window). If you have a disability and meet the essential criteria for this job you will be invited to take part in the next stage of the selection process.
