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PhD in Energy, Environment and Atmospheric Sciences (Heterogenious Catalysis Modelling)

The Position and the Research

We seek a talented and ambitious researcher for a project to model the performance of highly efficient heterogeneous catalysts using first principles-based atomistic simulations. Successful applicants will be admitted to the PhD program in Computational Sciences. The researcher/student will be trained to use density functional theory (DFT) calculations to characterize performance of heterogeneous catalytic systems at atomic level and will work towards the development of systematic methods to identify optimal compositions of the underlying support and the catalyst for dry reforming of methane, in close collaboration with experimentalists.

The work will be carried out in the Computation-based Science and Technology Research Center (CaSToRC) of The Cyprus Institute (CyI) which hosts national state-of-the-art High-Performance Computing (HPC) supercomputing facility (CyTera). DFT computational simulations will provide an invaluable tool to guide experimental synthesis efforts for the development of new heterogeneous catalytic systems which will be carried out at the Nanoparticle/Nanomaterial Synthesis and Characterization Laboratory (NanoLab) of The Cyprus institute and the Department of Chemistry of the University of Cyprus.

Expected starting date: beginning of 2020.

The Institute and the Research Center

The Cyprus Institute (CyI) is a new (established in 2005) and rapidly growing non-profit research and educational institution with scientific and technological focus. It is supported by the Government of Cyprus, which views its establishment as important to its overall policy of transforming Cyprus into a regional center for research and education. The Computation-based Science and Technology Research Center (CaSToRC) of CyI pioneers the introduction, development and employment of intense computational methods and data to advance scientific and technological disciplines. Backed by CyI's Tier-1 supercomputing facility, CaSToRC aspires to cultivate the use of High Performance Computing (HPC) and Data Science in Cyprus and the Eastern Mediterranean and to serve the needs for computational and data intensive applications. The Energy, Environment and Water Research Centre (EEWRC) of CyI was launched in December 2007 as the first research centre of the Institute. EEWRC works in close collaboration with the Massachusetts Institute of Technology (MIT), the Max Planck Institute for Chemistry, and Delft University of Technology on societally relevant topics related to Energy and Renewables, Environment and Climate, as well as Water and Natural Resources.

The Candidate

The successful candidate will have to be a university graduate (MSc level) with a relevant academic degree (i.e., a degree in physics, chemistry and/or engineering). He/she should have a strong interest and provable affinity with fundamentals of physical chemistry. A background in electronic structure theory, and knowledge of using quantum chemistry software such as Quantum ESPRESSO, VASP, Gaussian or similar will be considered as an advantage. Good oral and written communication skills in English, above-average study results, and the ability to work in interdisciplinary teams are a must.

Applicants should also refer to additional information about admission requirements which can be found on our website under the PhD in Computational Sciences Admissions section. Applicants must specify on their online applicaiton that they are applying for the position with reference number: GS-EAS-HCM-187 in order to be considered for this position.


Estimated maximum salary: EUR 14000-15000 per annum
Employment basis: Temporary for specified period
Duration of the contract: 36 months, extendable
Maximum hours per week: 40 (50% work on the project and 50% self-study)

Deadline to Apply

October 1, 2019

Other Information

You can seek further information for applying for this position, by sending your CV and motivation letter to Yury Suleymanov (This email address is being protected from spambots. You need JavaScript enabled to view it.) or George Biskos (e-mail: This email address is being protected from spambots. You need JavaScript enabled to view it.; tel. +357 22208618).