Research Assistant/Research Associate (Fixed Term)

Camwebdir; United Kingdom; Remote; GBP 34,000 - 42,000; Full time

Job summary

The University of Cambridge, Department of Chemical Engineering and Biotechnology, invites applications for a 24‑month Postdoctoral Research Associate to advance computational models for selective ion transport in complex aqueous mixtures. The role combines molecular simulation, thermodynamic modelling, and continuum transport theory to enable membrane‑based separations.

You will perform MD simulations and DFT calculations, develop predictive frameworks, publish high‑impact work, and release

Qualifications

• PhD required; postdoc appointment for 24 months.
• Experience with molecular simulations and combining theory with modelling.
• Proven ability to publish in high‑impact journals and release open‑source tools.

Responsibilities

• Perform MD simulations and DFT calculations to study ion–solvent and ion–membrane interactions.
• Develop continuum transport models for complex aqueous mixtures.
• Publish findings in high‑impact journals and contribute to open‑source software.
• Collaborate with international partners and mentor junior researchers.

Skills

Molecular dynamics

Density functional theory

Continuum transport modelling

Thermodynamics

Scientific programming

Academic collaboration

Education

PhD in Chemical Engineering or related field

Tools

GROMACS / LAMMPS

DFT packages (VASP, QE)

Python / MATLAB

Job description

Membrane-based separations are central to addressing major sustainability challenges, from securing critical metal supplies for the energy transition to enabling energy-efficient water treatment. Developing the next generation of membrane processes requires predictive computational models that connect molecular-scale phenomena to system-level performance. However, the thermodynamics and transport behaviour of concentrated, multi-ion aqueous solutions remain poorly understood, limiting rational membrane design and process optimisation.

The Department of Chemical Engineering and Biotechnology (CEB) at the University of Cambridge welcomes applications for a Postdoctoral Research Associate to work on a UKRI Future Leaders Fellowship project developing computational models for selective ion transport in complex aqueous mixtures. The research combines molecular simulation, thermodynamic modelling, and continuum transport theory to build predictive frameworks for membrane-based ion separations.

The role will involve molecular dynamics (MD) simulations and density functional theory (DFT) calculations to understand ion-solvent and ion-membrane interactions, alongside the development of continuum-scale transport models. This is an opportunity to be a member of a new research group working at the interface of molecular simulation, chemical thermodynamics, and membrane science.

You will report to Dr Akshay Deshmukh (PI), a UKRI Future Leaders Fellow at CEB. You will work alongside an experimental PDRA and collaborate with international project partners. You will have access to CEB's world-leading facilities and the broader Cambridge research ecosystem, including the Cambridge Centre for Data-Driven Discovery.

You will be expected to publish in high-impact journals, develop and release open-source computational tools, and present findings at international conferences. You will also gain experience in research leadership, grant writing, and mentoring, with support from the PI to help you achieve your career development goals.

Fixed‑term: The funds for this post are available for 24 months in the first instance.

Please quote reference NQ50329 on your application and in any correspondence about this vacancy.

The University actively supports equality, diversity and inclusion and encourages applications from all sections of society.

The University has a responsibility to ensure that all employees are eligible to live and work in the UK.