Job Summary

Multiscale Modelling of Surfactant–Bacterial Membrane Interactions

This position will support an externally funded industry collaboration between the Bioinformatics Institute (BII) A*STAR and Procter & Gamble (P&G) focused on understanding the molecular mechanisms underlying surfactant antimicrobial activity. The Research Officer will contribute to computational molecular simulation studies investigating how surfactants and surfactant blends interact with Gram-negative bacterial outer membranes. The project will apply coarse-grained and multiscale molecular dynamics simulations to characterise membrane insertion, lipid disruption, micelle behaviour, and other molecular processes relevant to antimicrobial efficacy.

The work will involve close collaboration with A*STAR researchers and industry scientists from P&G. The role will contribute to an externally funded translational research programme aimed at generating mechanistic insights that can support formulation design and surfactant optimisation.

This is a fixed-term 1-year position linked to the duration of the project funding. The role would particularly suit candidates interested in gaining experience in molecular simulation, multiscale modelling, and industry-collaborative research.

The position will join the Multiscale Simulation, Modelling & Design (MSMD) group at the Bioinformatics Institute (BII), A*STAR (https://www.a-star.edu.sg/bii/research/bsmd/msmd).

Key Responsibilities

• Perform coarse-grained molecular dynamics simulations of bacterial membrane systems.
• Investigate surfactant-membrane interactions and membrane disruption processes.
• Analyse molecular simulation trajectories and interpret membrane structural and dynamical properties.
• Contribute to automated workflows for simulation setup, execution, and analysis.
• Integrate computational predictions with experimental observations generated by collaborators at P&G.
• Contribute to collaborative discussions with external industry partners.
• Present research findings in internal meetings and collaborative discussions.
• Contribute to scientific reports, technical documentation, and publications arising from the research.

Requirements

• Bachelor’s degree (Honours) or Master’s degree in a relevant scientific or quantitative discipline.
• Knowledge and/or experience with molecular dynamics simulations of biomolecular or soft matter systems.
• Experience analysing molecular simulation trajectories and/or large datasets.
• Experience with scripting/programming tools (e.g. Python, Bash) for data analysis or workflow automation.
• Ability to work independently while contributing effectively to collaborative research projects.
• Strong scientific communication skills.

Preferred / Advantageous

• Experience with coarse-grained and/or multiscale modelling approaches (e.g. Martini force field).
• Experience studying membrane systems and/or membrane-active compounds.
• Experience working in collaborative or industry-linked research environments.
• Publication record in molecular simulation or computational biophysics research.