Job Description

Applications are invited for a highly motivated Postdoctoral Researcher role 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 the complex physics of ion-pore electrostatic interactions for electrolyte transport through nanopores. This would involve developing new theoretical frameworks for molecular simulations involving a combination of  quantum chemical calculations, classical molecular dynamics (MD) simulations and physics-informed machine learning.  A key objective of this work is to bridge classical and quantum descriptions of confined electrolytes, enabling predictive modelling across length and time scales. More broadly, the project seeks 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