Research Fellow (Catalysis Modelling)

The School of Materials Science and Engineering (MSE) provides a vibrant and nurturing environment for staff and students to carry out inter-disciplinary research in key areas such as Computational Materials Science, Characterisation Materials Science, Defence Composite Materials, Functional Composite Materials, Energy, Nanomaterials, Low Dimensional Materials, Biomaterials Materials, Biological Materials, Bioinspired Materials and Sustainable Materials.

For more details, please view https://www.ntu.edu.sg/mse/research.

This position focuses on theoretical modelling and reaction mechanism studies, with an emphasis on catalyst design and reaction kinetics analysis. The role supports the development of computational and microkinetic models for catalytic systems, contributing to catalyst optimization and mechanistic understanding of reaction processes. The successful candidate will also support ongoing research activities and collaborative projects within the research team.

Key Responsibilities:

• Conduct DFT, molecular dynamics (MD), and microkinetic simulations for heterogeneous catalytic systems.

• Assist in the processing, analysis, and interpretation of experimental data to support catalyst design and reaction studies.

• Assist in the preparation of research reports, manuscripts, and presentations, and support project coordination.

• Maintain laboratory operations, safety compliance, and equipment management.

Job Requirement:

• A PhD in Chemical Engineering, Chemistry, Materials Science, or a related field.

• Experience in theoretical calculations and heterogeneous catalysis research, particularly in DFT, molecular dynamics (MD), or microkinetic modelling.

• Familiar with Linux commands and Python programming.

• Effective teamwork and communication skills.

• Excellent written and spoken communication skills.

We regret to inform that only shortlisted candidates will be notified.