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 the field of modeling adsorption ... (No replies)
Back to Job listings...
ABOUT GHENT UNIVERSITY
Ghent University is a world of its own. Employing more than 8,000 people, it is actively involved in education and research, management and administration, as well as technical and social service provision on a daily basis. It is one of the largest, most exciting employers in the area and offers great career opportunities. With its 11 faculties and more than 80 departments offering state-of-the-art study programmes grounded in research in a wide range of academic fields, Ghent University is a logical choice for its staff and students.
YOUR TASKS
The multidisciplinary Center for Molecular Modeling (CMM, http://molmod.ugent.be) is looking for a highly motivated researcher to perform state-of-the-art research in the context of a PhD in the field of molecular simulations of hybrid membrane technology for more efficient C2 and C3 separations. The prospective PhD student will work in the research unit of Prof. Van Speybroeck and Vanduyfhuys.
The research is situated within the framework of a CO2 Moonshot project entitled ‘Moonrise’ in collaboration with partners from KULeuven, VUB and an industrial advisory board. The general aim of Moonrise is to create an energy-efficient alternative for cryogenic distillation in the production of C2 and C3 base chemicals by developing membranes for C2 and C3 olefin/paraffin separations. In addition, a membrane-based separation of these olefins from N2 will be targeted to drastically reduce olefin losses via flaring. Three different membrane types will be developed: polymer-only, mixed matrix membranes (MMMs) and metal-organic frameworks (MOF)-only. Through collaboration within a highly complementary consortium, this project joins various fields of expertise: membrane development, MOF-film preparation, diffusion and sorption studies, and molecular modelling. The CMM participates in the project as modeling partner with various research positions, who will study the modeling of diffusion/sorption properties will steer the material selection and optimization, while additionally helping to fundamentally understand the performances of the prepared membranes.
Molecular simulations have grown to become an indispensable tool for the development of new application-oriented materials. Such simulations start from the inter- and intramolecular interactions and allow to compute thermodynamic equilibrium properties such as the number of adsorbed molecules as well as dynamic properties such as a diffusion constant. Within this PhD research, various simulation techniques such as static geometric optimization, normal mode analysis, grand canonical Monte Carlo and classical density functional theory will be applied to compute adsorption free energies as well as full adsorption isotherms of various guest molecules in MOFs, polymers and the hybrid MOF/membrane materials subject in the Moonrise project under realistic conditions of temperature, loading and pressure. As such, we aim to complement experimental characterization of the adsorption properties of these materials performed by our experimental partners to rationalize why certain materials perform well under a given set of conditions and guide the synthesis of new high-performance materials.
The prospective candidate will join a strongly connected research team and benefit from the experience present in the Center for Molecular Modeling (CMM), specifically on performing advanced molecular simulations for the characterization of adsorption properties of nanoporous materials. He/she will collaborate with national and international academic partners and take an active role in the frequent meetings of the Moonshot project. The CMM, headed by Prof. Van Speybroeck, is a multidisciplinary research center, which groups about 40 researchers of the faculties of Science and Engineering and Architecture with molecular modeling interests. The CMM aims to model molecules, materials and processes at the nanoscale by bringing together physicists, chemists, (bio-)engineers and stimulating collaborations across disciplines. Within the CMM collaborative research between researchers with various backgrounds and from various departments is pursued. This multidisciplinary collaborative mission is the DNA of the CMM and key to achieve scientific excellence in the field of molecular modeling.
WHAT WE ARE LOOKING FOR
WHAT WE CAN OFFER YOU
We offer you a contract of indefinite duration with a maximum term of 4 years.
INTERESTED?
Apply online through the UGent e-recruitment system before the application deadline (see above). We do not accept late applications or applications that are not submitted through the online system.
Your application must include the following documents:
Note that the maximum file size for each field is 10 MB.
As Ghent University maintains an equal opportunities and diversity policy, everyone is encouraged to apply for this position.
MORE INFORMATION
All information about this vacancy and the application procedure can be found on the website of the Center for Molecular Modeling: PhD position in the field of modeling adsorption of C2/C3 species in nanostructured materials for separation | Center for Molecular Modeling (ugent.be)
For more information about this vacancy, please contact us at [email protected].
Important: do NOT send your application by email, but apply online.