Research Officer, Computational Sciences (incl. AI), BII

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.

The above eligibility criteria are not exhaustive. A*STAR may include additional selection criteria based on its prevailing recruitment policies. These policies may be amended from time to time without notice. We regret that only shortlisted candidates will be notified.