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Third-cycle subject: Chemical Science and Engineering
The project will combine method development in quantum chemistry, specifically towards open-shell systems, with applied studies of intermediates in electrochemical processes. Both catalytic processes linked to energy storage and electrosynthesis processes may be studied. In these processes, both simple organic radicals and more complex metal-containing systems are formed, where unpaired electrons are common. These intermediates often occur in low concentration but can sometimes be detected by spectroscopic methods. However, spectra from different species are often difficult to interpret, but with comparative quantum chemically calculated spectra, the structure can be determined more easily. Since the systems are in solution, or sometimes in the boundary layer between solution and solid materials, the surroundings also need to be described.
The method development will mainly be done in the Python layer of VeloxChem, but with some possibility of development in the C++ layer.
Supervision: Patrick Norman is proposed to supervise the doctoral student. Decisions are made on admission.
To be admitted to postgraduate education (Chapter 7, 39 § Swedish Higher Education Ordinance), the applicant must have basic eligibility in accordance with either of the following:
In addition to the above, there is also a mandatory requirement for English equivalent to English B/6.
In order to succeed as a doctoral student at KTH, you need to be goal-oriented and persevering in your work. During the selection process, candidates will be assessed upon their ability to:
After the qualification requirements, great emphasis will be placed on personal competency.
Only those admitted to postgraduate education may be employed as a doctoral student. The total length of employment may not be longer than what corresponds to full-time doctoral education in four years' time. An employed doctoral student can, to a limited extent (maximum 20%), perform certain tasks within their role, e.g., training and administration. A new position as a doctoral student is for a maximum of one year, and then the employment may be renewed for a maximum of two years at a time. In the case of studies that are to be completed with a licentiate degree, the total period of employment may not be longer than what corresponds to full-time doctoral education for two years.
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Apply for the position and admission through KTH's recruitment system. It is the applicant’s responsibility to ensure that the application is complete in accordance with the instructions in the advertisement.
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