Job announcements relevant to people interested in electronic structure calculations…
Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
PhD position in computer simulations of water ad ... (1 reply)
Flyer for the offer
Back to Job listings...
PhD offer – Wroclaw University of Science and Technology, starting October
2023, 3 years (scholarship: 1000 Eur/month)
Contact: Prof. Bogdan Kuchta ([email protected])
Subject: Computer simulations of water adsorption in MOFs nano-porous materials. Interpretation of the adsorption mechanism and its application in atmospheric water harvesting.
Goal: Water harvesting from atmosphere is a promising strategy for decentralized potable water
production, without the long-distance transport and delivery. It is one of the envisaged solutions to be applied in many situations: in rural areas, but also water scarcity in arid regions. To achieve this goal, the mechanism of adsorption of water must be very well understood.
Objectives: Water adsorption exhibits a unique microscopic mechanism observed in nanoscale because of water strong polarizability, and possible formation hydrogen bonds with neighboring molecules (aggregation) or confining material. The thesis will be focused on numerical modeling of water adsorption in porous MOFs (metal organic frameworks) using Monte Carlo simulation methods. All aspects of the adsorption process, including possible modifications of the interaction model and the self-consistent effect of deformations the MOFs structures induced by the adsorbate will be analyzed. The experimental verifications will be performed in cooperation with our international partners.
Expected skills of the candidate: Master degree in physics, physical chemistry, chemical engineering or related field is required. The prospective PhD student must be familiar with the methodology of classical atomistic simulations such as Monte Carlo and Molecular Dynamics techniques. Experience in programming and/or numerical simulations is an advantage. Basic knowledge of thermodynamics, especially, statistical thermodynamics is expected. Understanding of the basic statistical thermodynamics’ principles will help in the correct and effective interpretation of the simulation data.
To apply, the candidates should send, by email, a CV and motivation letter and copies of their degree certificates with official transcripts, preferably before the 15th of May, 2023.
Send application to:
Prof. Bogdan Kuchta, [email protected]
Wroclaw University of Science and Technology, Wroclaw, Poland
Department of Micro, Nano, and Bioprocess Engineering