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

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