Job Title: Research Engineer (Computational Materials Modelling)
University-Level Unit: Centre for Hydrogen and Carbon Innovations
Faculty/Department-Level Unit: Centre for Hydrogen and Carbon Innovations
Employee Category: Research Staff
Location_ONB: Kent Ridge Campus
Posting Start Date: 21/08/2026
Job Description
The successful candidate will be involved in a computational project to investigate the microscopic properties of guest molecules in nanoporous materials, more specifically, metal-organic frameworks.
Major Duties Include
- Calculate interaction energies from density-function theory
- Train machine learning models/potentials
- Conduct atomistic simulations to explore adsorption/diffusion
- Analyze computational results
Qualifications
Applicants are expected to have:
- A Bachelor or Master degree in Chemical Engineering, Chemistry, Physics, or related discipline.
- Strong background and hands-on experience in molecular simulation, machine learning, and density-function theory calculations.
- Knowledge of nanoporous materials, particularly, metal-organic frameworks.
- Strong analytical and problem-solving skills.
- Ability to work independently, as well as team-work ability.
- Good written and spoken English communication skills.
Only shortlisted candidates will be contacted.
Req ID: 34172
