The Choksi research group at School of Chemical and Biomedical Engineering (SCBE) is seeking a Research Fellow funded by the National Research Foundation. This collaborative project together with Prof. Paul Liu (NTU), Prof. Sabine Valange (University of Poitiers), and Prof. James Kwan (University of Oxford) will advance foundational knowledge in upcycling raw materials derived from food waste into high-value chemicals using ultrasound assisted catalysis.

The Research Fellow will employ electronic structure calculations, first principles thermodynamics, and microkinetic modelling to understand how physico-chemical effects caused by ultrasound irradiation combine with active site of heterogeneous catalysts to synergistically drive chemical reactions.

Key Responsibilities:

• Perform ab initio calculations of reaction mechanisms on heterogeneous catalysts
• Use ab initio thermodynamics to determine catalytic structures under ultrasound conditions
• Calculate reaction rates using microkinetic models
• Work together with PhD students from Choksi's group, and undergraduate researchers
• Work closely with experimental collaborators in NTU, CNRS (France), and Oxford (UK)
• Write 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 modelling reaction kinetics
• 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