Postdoctoral positions are available now in Prof. De-en Jiang’s group at Department of Chemical and Biomolecular Engineering, Vanderbilt University. The positions will focus on research in the area of computational materials and chemistry.

One position will be on chemical separations such as gas separations and ion extractions. The research involves design and simulations of advanced materials and molecular functionalities for selectively binding and transporting target molecules and ions. An ideal candidate will have experience in molecular quantum chemistry, simulations of materials and interfaces, liquid-phase classical molecular dynamics simulations, and force-field parameterization with machine learning.

The other position will be on computational materials and surface chemistry for catalysis and energy storage. The research involves design and simulations of complex solid materials such as high-entropy materials for heterogenous catalysis and composite materials for batteries. An ideal candidate will have experience in periodic density functional theory simulations of solids and surfaces; in locating surface reaction pathways by transition-state-search techniques such as nudged elastic band; experience in ab initio molecular dynamics, high-throughput screening, and/or machine learning is a plus.

If interested, please email your CV to Prof. Jiang at de-en.jiang at vanderbilt.edu.