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The position is financed by the KOSK II programme of the Norwegian research council on the project Quantum modelling studies of local coordination of T-atoms in Zeotype materials. The main objective of the project is to elucidate the mechanism(s) for diffusion of framework cations in zeotype materials.The successful candidate will perform modelling studies of the relative stability of different silicon distributions and mechanisms for silicon diffusion in SAPO materials and aluminium diffusion in zeolites using methods based on quantum mechanics. Periodic DFT calculations will be the main tool; however, DFT and ab initio cluster calculations may also prove useful.

Eligibility:
Applicants must hold a PhD in quantum chemistry or computational solid-state physics, preferably involving periodic band structure calculations.
-A strong ability to work independently is appreciated, as well as the ability to view the computational work in a wider context, relating it to experimental results.
-Experience in installing and tuning software for efficiency on high performance computing resources would be an advantage.
-A good working knowledge of the English language is necessary.

Study Subject(s):Chemistry
Course Level:Research
Scholarship Provider: KOSK II programme of the Norwegian research council
Application Deadline: July 20, 2011

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