Postdoctoral Fellow in Theory and Computation (Chemistry)

King Abdullah University of Science and Technology

Saudi Arabia

November 8, 2021


King Abdullah University of Science and Technology: Postdoc Positions:

Biological and Environmental Science and Engineering Division (postdoc)


Thuwal, Saudi Arabia

Open Date

Sep 30, 2021


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: //

Research opportunities include:

  • Continuum scale simulations of heat and mass transfer, e.g., evaporating/exploding water droplets/sprays.
  • Molecular simulations of nanoconfined liquids
  • Chemical reactions in bulk water, gas-phase, and interfacial water – DFT, ab initio MD
  • 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: //

    About KAUST:

    KAUST is an international graduate-level, merit-based research university dedicated to advancing scientific and technological education and research, acting as a catalyst for innovation, economic development and social prosperity in the region and the world. Our research strives to enhance the welfare of society with a special focus on four areas of global significance – food, water, energy and the environment. Based near Jeddah, Saudi Arabia, KAUST has attracted top-notch faculty and staff from all over the world, with more than 80 nations represented on campus.

    KAUST offers excellent academic and social atmosphere. Postdocs and PhD scholars enjoy highly competitive salaries and benefits, along with a truly global exposure through colleagues from over 100 nationalities. Join us for an adventure!

    For further information about KAUST, postdoctoral life/benefits, social life, etc., please visit:

    https: // https: // www. https:// www.

    At KAUST, we attract people from all around the world who want to create impact beyond their own achievements. Irrespective of their national origins, the people of KAUST are “people of the world” who uphold our values of achievement, passion, inspiration, citizenship, diversity, integrity, and openness. Located on the beautiful Red Sea coast of Saudi Arabia, KAUST sets exceptional standards in residences, recreational facilities and boasts a truly multicultural community environment which can be enjoyed by all, along with ample opportunities and time to keep work and life in harmony. Expats are very well looked after, with packages including tax-free salary, relocation, accommodation and various additional incentives.



    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
  • Application Instructions

    Please provide a cover letter, CV and names and contact details of three referees.

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