Research Engineer (Computational Materials Modelling)

Q: What qualifications are required for this Computational Materials Modelling Research Engineer role?

Applicants should hold a Bachelor or Master degree in Chemical Engineering , Chemistry , Physics , or a related discipline. Strong hands-on experience in molecular simulation , machine learning , and density-functional theory (DFT) calculations is essential, along with knowledge of metal-organic frameworks . Strong analytical and problem-solving skills and good English communication are also required. See how to write a winning academic CV to present these qualifications effectively.

Q: What will I do as a Research Engineer in computational materials modelling?

The role focuses on computational investigation of guest molecules in nanoporous materials , especially metal-organic frameworks . Main duties include calculating interaction energies from density-functional theory , training machine learning models/potentials , running atomistic simulations of adsorption and diffusion , and analysing computational results. For context on AI-driven materials research, see NUS-Toronto Materials Data Foundry Lab .

Q: Where is the Research Engineer position located and what is the work setting?

The position is based at the Kent Ridge Campus of the National University of Singapore within the Centre for Hydrogen and Carbon Innovations . This is an on-site research staff role in a computational modelling environment. Browse research jobs to compare similar academic research positions.

Q: What technical skills should I highlight when applying for this computational modelling job?

Highlight your hands-on experience with molecular simulation , machine learning , and density-functional theory calculations . Emphasise any work with nanoporous materials and metal-organic frameworks , and your ability to analyse adsorption/diffusion data. If you are building a research profile, explore how to excel as a research assistant for transferable skills.

Q: Is salary or visa sponsorship information available for this Research Engineer role?

The job posting does not specify a salary range or visa sponsorship . Candidates should confirm compensation and work pass eligibility with the hiring unit at the Centre for Hydrogen and Carbon Innovations if shortlisted. For a broader view of academic salaries, see professor salaries or university salaries .

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

Frequently Asked Questions

🎓What qualifications are required for this Computational Materials Modelling Research Engineer role?

Applicants should hold a Bachelor or Master degree in Chemical Engineering, Chemistry, Physics, or a related discipline. Strong hands-on experience in molecular simulation, machine learning, and density-functional theory (DFT) calculations is essential, along with knowledge of metal-organic frameworks. Strong analytical and problem-solving skills and good English communication are also required. See how to write a winning academic CV to present these qualifications effectively.

🧪What will I do as a Research Engineer in computational materials modelling?

The role focuses on computational investigation of guest molecules in nanoporous materials, especially metal-organic frameworks. Main duties include calculating interaction energies from density-functional theory, training machine learning models/potentials, running atomistic simulations of adsorption and diffusion, and analysing computational results. For context on AI-driven materials research, see NUS-Toronto Materials Data Foundry Lab.

📍Where is the Research Engineer position located and what is the work setting?

The position is based at the Kent Ridge Campus of the National University of Singapore within the Centre for Hydrogen and Carbon Innovations. This is an on-site research staff role in a computational modelling environment. Browse research jobs to compare similar academic research positions.

💻What technical skills should I highlight when applying for this computational modelling job?

Highlight your hands-on experience with molecular simulation, machine learning, and density-functional theory calculations. Emphasise any work with nanoporous materials and metal-organic frameworks, and your ability to analyse adsorption/diffusion data. If you are building a research profile, explore how to excel as a research assistant for transferable skills.

💰Is salary or visa sponsorship information available for this Research Engineer role?

The job posting does not specify a salary range or visa sponsorship. Candidates should confirm compensation and work pass eligibility with the hiring unit at the Centre for Hydrogen and Carbon Innovations if shortlisted. For a broader view of academic salaries, see professor salaries or university salaries.

Research Engineer (Computational Materials Modelling)