Research Fellow (Computational Catalysis)

The Choksi research group is seeking a Research Fellow funded by a grant through the IAF-ICP programme. The Research Fellow will help design new catalysts and uncover reaction mechanisms for converting intermediates derived from biomass into precursors for biofuels. The research fellow will employ electronic structure calculations, first principles thermodynamics, and microkinetic modelling to understand catalytic processes at the molecular scale.

This is a multi-year appointment that is renewable beyond the first year based on performance.

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

• Working with experimental collaborators and industrial partners to meet the project timelines

• 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

• Ability to work independently

We regret that only shortlisted candidates will be notified.

Hiring Institution: NTU