Research Fellow (Chemical Engineering/Chemistry/Physics/Material Science)

The Choksi research group is seeking a Research Fellow funded by a grant through the C4T Phase 2 No Cost Extension hosted at the Energy Research Institute at NTU (ERIAN). The Research Fellow will help advance foundational knowledge in understanding the stability and synthesizability of porous materials using computational methods. The research fellow will employ electronic structure calculations, first principles thermodynamics, and machine learning methods to develop a paradigm for the predictive synthesizability of porous materials..

This appointment is until the end of the project, 31 October 2025.

Key Responsibilities:

• Performing ab initio calculations for heterogeneous catalysts

• Using ab initio thermodynamics to determine catalytic structures under working conditions

• Calculating reaction rates using microkinetic models.

• Understanding the stability of nanoparticle catalysts

• Working together with PhD students from Choksi’s group, and undergraduate researchers

• Writing papers and delivering technical presentations.

Job Requirements:

• PhD or equivalent in chemical engineering, chemistry, physics, material science or an allied field.

• Between 0-3 years of post-PhD work experience.

• Extensive experience in using quantum mechanical and molecular modelling packages like VASP and Quantum ESPRESSO, has advanced knowledge of first principles thermodynamics, and reaction kinetics modelling.

• Familiarity with Python and working in a Linux based platform is a bonus.

• Intellectually curious and think deeply and creatively.

• Good interpersonal skills and enjoy working in cross disciplinary teams.

• Demonstrate proficiency in written and spoken English for research purposes

• Ability to work independently.

We regret to inform that only shortlisted candidates will be notified.