Research Fellow in Computational Nanocatalysis, ChBE

Job Title: Research Fellow in Computational Nanocatalysis, ChBE

University-Level Unit: College of Design and Engineering

Faculty/Department-Level Unit: Chemical and Biomolecular Engineering

Employee Category: Research Staff

Location_ONB: Kent Ridge Campus

Posting Start Date: 15/10/2026

Job Description

Postdoctoral Research Fellow position in the area of Computational Chemistry is available at the Department of Chemical and Biomolecular Engineering at the National University of Singapore. The position is open for 1 year with a flexible starting date and could be extended depending on mutual interest.

The applicant will work with Prof. Sergey Kozlov in the Computational Nanocatalysis group, which focuses on the computational design of advanced nanocomposite catalysts using density functional theory (DFT) and machine learning (ML). The research will focus on advanced simulations of selective hydrogenation catalytic processes on alloy nanoparticles and/or metal-oxide interfaces.

Job Requirements

• Ph.D. in Chemical Engineering, Chemistry, Physics or Material Science
• Experience in DFT studies of heterogeneous catalysts, electrochemistry, or nanostructured materials using VASP
• The ability to creatively contribute to collaborations with experimental colleagues.
• Excellent writing skills and fluency in English.
• Knowledge of shell scripting, Python and Machine Learning.
  
  

The application should contain the following documents combined in one pdf file:

• Cover Letter
• Curriculum Vitae
• Publication List
• Contact details of at least 4 references (including PhD supervisor) willing to provide recommendation letters.
  
  

Req ID: 33781