Postdoctoral Research Fellow, Chemical and Biomolecular Engineering

Monday, 19 July 2021
End of advertisement period
Wednesday, 18 August 2021
Contract Type
Fixed Term
Full Time

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 (#3 in QS World University Rankings for Chemical Engineering). The position is open for 1 year with a flexible starting date and could be extended upon mutual interest.

The applicant will work with Prof. Sergey Kozlov in the Computational Nanocatalysis group, which focuses on the simulations of physical and chemical interactions in emerging classes of nanostructured materials. The applicant will use periodic density functional (DFT) simulations and the atomic simulation environment (ASE) to characterize the structure and catalytic activity of composite materials. The research will focus on simulations of advanced heterogeneous catalysts necessary for the transition to CO2-neutral economy (e.g., CO2 conversion to methanol and other chemicals) and the exploration of various strategies to increase the activity of the catalysts. A significant part of the investigations will be performed in collaboration with experimental groups participating in the Flagship Green Energy Program of the National University of Singapore ( and international experimental collaborators.


  • Ph.D. in Chemical Engineering or Chemistry
  • Experience in DFT studies of heterogeneous catalysts or electrochemistry
  • The ability to creatively contribute to collaborations with experimental colleagues.
  • Excellent writing skills and fluency in English.
  • Knowledge of shell scripting and Python.
  • Expertise in VASP is preferred.

More Information

Location: Kent Ridge Campus
Organization: Engineering
Department : Chemical And Biomolecular Engineering