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:

1. Calculate interaction energies from density-function theory
2. Train machine learning models/potentials
3. Conduct atomistic simulations to explore adsorption/diffusion
4. Analyze computational results

Qualifications

Applicants are expected to have:

1. A Bachelor or Master degree in Chemical Engineering, Chemistry, Physics, or related discipline.
2. Strong background and hands-on experience in molecular simulation, machine learning, and density-function theory calculations.
3. Knowledge of nanoporous materials, particularly, metal-organic frameworks.
4. Strong analytical and problem-solving skills.
5. Ability to work independently, as well as team-work ability.
6. Good written and spoken English  communication skills.

Only shortlisted candidates will be contacted.