Research Associate in Modelling of Protein-metal Oxide Interactions

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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.

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 force fields 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.

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.

Application

Hold a PhD or be close to completion (or have equivalent experience) in materials science, physical science or another relevant discipline.

Application

Experience in the use of a range of simulation techniques, particularly in the area of classical molecular dynamics

Application/Interview

Experience of modelling Molecular Systems

Application/Interview

Experience of modelling inorganic salts and magnetic systems

Application/Interview

Experience in the writing of scientific computer programs and scripts

Application/Interview

Ability to initiate, plan, organise, implement and deliver programmes…