Research Fellow, Computational Chemistry

01 Jun 2022
End of advertisement period
01 Jul 2022
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 Chemical Engineering according to QS World University Rankings). 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 simulations of physical and chemical interactions in emerging classes of nanostructured materials. More information about the group can be found at The applicant will use periodic density functional (DFT) simulations and the atomic simulation environment (ASE) to characterize the structure and catalytic activity of nanocomposite catalysts. The research will focus on realistic DFT studies of alloy nanocatalysts with complex structures for CO2 reduction into valuable multicarbon products performed in collaboration with world-leading experimental teams.


  • Ph.D. in Chemistry, Materials Science, Physics or Chemical Engineering
  • 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 and Python.

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

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

Additional documents including a writing sample will be requested from shortlisted applicants. 

Covid-19 Message

At NUS, the health and safety of our staff and students are one of our utmost priorities, and COVID-vaccination supports our commitment to ensure the safety of our community and to make NUS as safe and welcoming as possible. Many of our roles require a significant amount of physical interactions with students/staff/public members. Even for job roles that may be performed remotely, there will be instances where on-campus presences are required. 

In accordance with Singapore's legal requirements, unvaccinated workers will not be able to work on the NUS premises with effect from 15 January 2022. As such, job applicants will need to be fully COVID-19 vaccinated to secure successful employment with NUS.

More Information

Location: Kent Ridge Campus
Organization: College of Design and Engineering
Department : Chemical and Biomolecular Engineering
Employee Referral Eligible: No
Job requisition ID : 13227

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