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National University Of Singapore Hiring! Full Time Research Engineer (Computational Materials Modelling) in Central Region (Singapore) - Ricebowl

Research Engineer (Computational Materials Modelling)

Queenstown, Central Region (Singapore)

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Working Location

  • Queenstown Central Region (Singapore) Singapore

Job Description

Responsibilities

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.

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