"Research Fellow (Computational Nanoscience and Nanofluidics), ChBE"

Job Description

Applications are invited for a highly motivated Postdoctoral Researcher in the group of Prof. Rahul Prasanna Misra in the Department of Chemical and Biomolecular Engineering at the National University of Singapore (NUS).

The successful candidate will develop and apply advanced computational models that capture permanent electrostatics, electronic polarization, and interfacial charge effects using a combination of quantum chemical calculations, molecular simulations, and physics-informed machine learning. A key objective of this work is to bridge classical and quantum descriptions of confined and interfacial fluids, enabling predictive modelling across length and time scales.

The research will further explore how nanofluidics couples with the electronic properties of confining materials to understand and actively control transport and thermodynamic behaviour in next-generation membrane and nanofluidic systems, with the goal of advancing clean water and energy technologies.

Job Requirements

• PhD in Chemical Engineering, Materials Science, Physics, Chemistry, or a related field
• Experience with quantum chemical and electronic structure methods, and molecular simulation tools such as CP2K, VASP, LAMMPS, or related packages
• Experience with machine learning or deep learning frameworks such as TensorFlow or PyTorch, particularly for physics-informed or scientific applications, is desirable
• Track record of high quality publications, and the ability to work independently as well as in a team environment

More Information

Location: Kent Ridge Campus

Organization: College of Design and Engineering

Department: Chemical and Biomolecular Engineering

Employee Referral Eligible: No

Job requisition ID: 31749

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