Postdoctoral Fellow in Theory and Computation (Chemistry)

Postdoctoral Fellow in Theory and Computation (Chemistry)

Project: Simulating physical and chemical processes at water-hydrophobe interfaces

Description: Interfacial mass and energy transfer, chemical transformations/reactions, and tensions at water interfaces are implicated in numerous natural and industrial processes, such as the atmosphere–hydrosphere exchange, cloud physics and chemistry, thundercloud charging, precipitation, ion speciation, aerobic bioreactors, food and beverages, soil physics, underwater insect respiration, and the ubiquitous water evaporation/condensation events. Probing the air–water interface of molecular thickness, however, remains a daunting research area due to the challenges associated with direct experimental interrogation as well as the limitations of the water models. We are combining experiment and theory to probe the water surface.

We solicit applications for a postdoctoral position in Professor Himanshu Mishra's research Group (Interfacial Lab) at King Abdullah University of Science and Technology (KAUST), Saudi Arabia (https://interfaciallab.kaust.edu.sa).

Research opportunities include:

1. Continuum scale simulations of heat and mass transfer, e.g., evaporating/exploding water droplets/sprays.
2. Molecular simulations of nanoconfined liquids
3. Chemical reactions in bulk water, gas-phase, and interfacial water – DFT, ab initio MD
4. Wetting transitions on nanotextured surfaces; heat and mass transfer across porous media: continuum models, MD, CFD

Terrific opportunities to work with experimentalists in our Group and external collaborators.

Sample publications: Chemical Science, 2019, 10, 2566-2577; Journal of Physical Chemistry Letters, 2019, 10, 5530-5535; https://arxiv.org/abs/2109.03096

Expectations:
The candidate should have a PhD in theoretical/computational chemistry or materials science. We expect the individual to be

Curiosity-driven, meticulous, dedicated, and a team player

Solid background in thermodynamics, quantum chemistry, statistical mechanics, computer programming, and transport phenomena; prior experience in modeling water preferred

KAUST Benefits for Postdoc Fellows

Competitive Salary

Housing provided free of charge

Local medical insurance provided for postdoc fellows and eligible dependents

Relocation allowance

Schooling is provided to eligible dependents at KAUST Schools (normal admission procedures apply)

To apply:
Please upload your updated CV, cover letter, list of publications, and the contact information for three references to interfolio: https://apply.interfolio.com/95849





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