PhD student in Chemical Physics: Quantum Chemical Simulations of Light-Induced Pathways

The Department of Physics is located in the AlbaNova University Center and has approximately 240 employees, 250 students at undergraduate level and 70 graduate students. There are four research subjects within the postgraduate program: Physics, Theoretical Physics, Chemical Physics and Medical Radiation Physics. These subjects span over several research groups with different research activities. For information about the Department of Physics, see: www.fysik.su.se/english.

Project description

Subject area: Chemical Physics

Light-induced homolysis of earth-abundant metal-substrate complexes opens new catalytic pathways. Charge-transfer excitations in metal carboxylate complexes leads to homolysis of the carboxylate, release of carbondioxide, and formation of radicals active in pharmaceutical synthesis. The efficiency of the process needs to be improved, but knowledge about the mechanism is lacking. We want to investigate how the homolysis occurs and whether it is an ultrafast inner-sphere process near the metal ion or occurs at a later stage.

Theoretical simulations can unravel mechanistic details, which can facilitate design of sustainable synthetic protocols. Advanced quantum chemistry will be used to simulate photoexcitations and non-equilibrium dynamics populating different electronic states. To describe the complexes in solution prior to the photoexcitation and on longer time-scales afterwards, we will perform molecular dynamics simulations based on density functional theory. In addition, spectrum simulations will create a solid link to experiments for validation of theoretical models and predictions.

We seek a motivated and creative candidate with a strong collaborative mindset eager to learn new skills. The position offers opportunities for international collaborations, and international travel and conference presentations. You will be supported in developing your teaching and/or science communication skills. You will develop an understanding in quantum chemistry and simulation techniques to accurately model photo-induced chemical processes. You will be supervised by Michael Odelius at the division of Chemical Physics. The research interests in the Molecular Dynamics Quantum Chemistry group range from accurate quantum mechanical studies of molecules to realistic simulations of electrolyte solutions and energy materials. Atomic, Molecular and Complex Quantum System Physics is one of the leading research areas at Stockholm University and also an area at the Faculty of Science that have been selected to profile the University. The research at the Division of Chemical Physics spans over a wide range of experimental and theoretical projects.

For more information about the research group and the funding, see: www.su.se/english/profiles/odelius and www.vr.se/english/swecris.html#/project/2025-03596_VR.

Qualification requirements

In order to be admitted to postgraduate education, the applicant must have the general and specific entry requirements. The qualification requirements must be met by the deadline for applications.

You meet general entry requirements if you have completed a second-cycle degree, or completed courses equivalent to at least 240 higher education credits, of which 60 credits must be in the second cycle, or have otherwise acquired equivalent knowledge in Sweden or elsewhere.

Specific entry requirements. In order to be accepted as a PhD student in Physics or Theoretical Physics a BSc in Physics (or equivalent) is required. The studies must include 60 credits of second-cycle courses in physics out of which at least 15 credits correspond to a second-cycle degree project. The degree project does not have to have been examined at the application deadline, but work corresponding to half a semester of full-time studies should have been devoted to it. For the subject Chemical Physics courses in chemistry may replace the required physics courses. The subject Medical Radiation Physics requires a second-cycle degree project of 30 credits in the subject area, or with 60 credits of physics, a second-cycle degree project of 30 credits in another subject area.

In addition, proficiency in English language, equivalent to English B in Swedish high school, is required, or

• Previously completed University degree taught in English
• IELTS score (Academic) of 6.0 or more (with none of the sections scoring less than 5.0)
• TOEFL score of 550 or more (computer based test 213, internet based 79)
• Cambridge/Oxford - Advanced or Proficiency level

Selection

The selection among the eligible candidates will be based on their capacity to benefit from the training. The following criteria will be used to assess this capacity:

• documented knowledge in a relevant field of research
• capacity for analytical and creative thinking
• initiative
• independence
• ability to collaborate
• written and oral proficiency.

Admission Regulations for Doctoral Studies at Stockholm University.

About the employment

We offer a fixed-term employment as a doctoral student according to Chapter 5 of the Higher Education Ordinance (1993:100). The period of employment may not be longer than what corresponds to full-time doctoral education for four years. As a doctoral student, you should primarily devote yourself to your own doctoral education, but the employment may include work with education, research and administration to a limited extent (maximum 20 %).

A new employment as a doctoral student is for a maximum of one year, the employment is then renewed for a maximum of two years at a time.

Stockholm University strives to be a workplace free from discrimination and with equal opportunities for all.

Contact

For information about the employment Prof. Michael Odelius, odelius@fysik.su.se, who can also forward questions to the PhD student council at Fysikum.

Application

Apply for the PhD student position at Stockholm University's recruitment system. Attach a personal letter and CV as well as the attachments requested in the application form. It is the responsibility of the applicant to ensure that the application is complete in accordance with the instructions in the job advertisement, and that it is submitted before the deadline.

The instructions for applicants are available at: How to apply for a position.