Summary
The Department of Pure and Applied Chemistry is seeking a highly motivated Research Associate to join the ARIA-funded CoreShell Fibre Foundry programme. This role is central to the computational design framework, focusing on translating molecular simulation trajectories into physically meaningful descriptors and practical design rules for manufacturing hollow inorganic fibres using engineered proteins.
Designation
Postdoctoral Research Associate (PDRA)
Research Area
Computational Chemistry, Molecular Simulation, Protein Engineering, Materials Modelling, High-Throughput Analysis, Machine Learning for Molecular Design.
Location
Department of Pure and Applied Chemistry, University of Strathclyde (implied from the source URL and department name).
Eligibility/Qualification
- PhD in computational chemistry, molecular simulation, physics, biophysics, materials modelling, computational biology, mathematics, or a closely related discipline.
- Essential Skills:
- Strong Python skills.
- Experience developing quantitative descriptors from molecular or structural data.
- Experience handling large trajectory datasets.
- Advantageous Skills:
- Knowledge of coarse-grained molecular dynamics (e.g., Martini or related force field).
- Experience with GROMACS, VMD, MDAnalysis, OVITO.
- Experience with high-performance computing.
- Experience with structural-order analysis.
- Experience with the preparation of datasets for machine-learning models.
- Ability to conduct research independently while working effectively within a collaborative team.
- Strong attention to detail in computational analysis, software development, and scientific data handling.
Job Description
Key Responsibilities:
- Develop high-throughput workflows for analysing coarse-grained molecular-dynamics simulations of candidate protein assemblies.
- Quantify features such as curvature, lumen dimensions, scaffold and tube stability, packing order, aggregation state, interfacial organisation, and assembly persistence.
- Develop high-throughput analysis workflows for coarse-grained molecular-dynamics simulations.
- Extract geometric, topological, and structural descriptors from protein-assembly trajectories.
- Develop structure-property relationships linking protein sequence features to assembly behaviour.
- Generate reliable descriptor datasets for predictive and active-learning models.
- Compare simulated behaviour with microscopy, scattering, and other experimental data.
- Build robust, documented, reusable, and version-controlled Python analysis pipelines.
- Contribute to project meetings, milestone reports, publications, presentations, and research-data management.
Contract Details:
- Salary: £39,906 – £46,049
- FTE: 1.0 FTE (full time)
- Contract Type: Fixed Term (12 months)
- Start Date: 1 October 2026
- End Date: 30 September 2027
How to Apply
Candidates are encouraged to apply via the provided application link. Informal enquiries may be directed to Professor Tell Tuttle, Programme Lead, at tell.tuttle@strath.ac.uk.
Last Date for Apply
25 September 2026, 23:59 (BST)
Apply Link
