PhD student in Chemistry

PhD student in Chemistry (experimental/computational physical chemistry)

-Transition metal photocatalysts studied by femtosecond X-ray science with a focus on hybrid experimental/machine-learned structural dynamic analyses.

Uppsala University is a comprehensive research-intensive university with a strong international standing. Our ultimate goal is to conduct education and research of the highest quality and relevance to make a long-term difference in society. Our most important assets are all the individuals whose curiosity and dedication make Uppsala University one of Sweden’s most exciting workplaces. Uppsala University has over 45,000 students, more than 7,000 employees and a turnover of around SEK 7 billion.

Department of Chemistry – BMC conducts research and education in analytical chemistry, biochemistry and organic chemistry. More than 100 people, including around 45 PhD students, work at the department. New employees and students are recruited from all over the world and English is the main working language. The department is located at the Biomedical Centre in Uppsala, which facilitates collaborations with research groups in biology, pharmacy, medicine and SciLifeLab and gives access to advanced infrastructure for experimental and theoretical studies. The international environment and good opportunities for interdisciplinary collaborations enables PhD students at the department to participate in relevant research projects and prepare for an international research career.

Read more about the research at The Department of Chemistry – BMC at our website.

The Westenhoff research team focuses on resolving the molecular structural dynamics of proteins and small molecules. We primarily use time-resolved X-ray scattering and diffraction experiments at free-electron laser sources. Our research combines biochemistry and physical chemistry. We foster a free, creative and international work culture with equal opportunities and a flat hierarchy.

Project description
Your goal will to leverage cutting-edge machine learning methodologies to extract conformational ensembles from time-resolved X-ray solution scattering data of chemical reactions, in particular for transition metal photocatalysts. The project is a collaboration with the Wernet and Jay groups at the Department of Physics at Uppsala University and you are expected to interact tightly with them and their teams. Together we will perform combined femtosecond X-ray absorption/fluorescence and scattering experiments at X-ray free electron lasers.

Your focus will be to derive new algorithms for interpretation of the scattering data by introducing chemical force-fields via machine-learned restraints, yielding unique structural insight on the solvent rearrangement around active states of the catalyst.  Together with the X-ray spectroscopy data, this can deliver a complete picture of reaction intermediates in photocatalysis. You will be involved in all steps of the project, i.e. to design and program the software, to perform computational and real-world experiments, to analyze data, and to present and publish the results. The choice of sub-projects will be adjusted to your interests and previous knowledge and experiences.  

You will be given extensive creative space to develop the project, significant resources to produce cutting edge results, and you will profit from being part of our highly collaborative team.

The PhD studentship is shared between the Westenhoff group at the Department of Chemistry-BMC and the Wernet and Jay group at the Department of Physics at the University of Uppsala, ensuring expert supervision in both fields. 

Duties
The main duties of PhD students are to devote themselves to their research studies, which includes participating in research projects and third cycle courses. The work duties can also include teaching and other departmental duties (not more than 20 % of full time). 

Requirements

• To be eligible for doctoral education, a basic higher education equivalent to at least 240 ECTS credits, including at least 60 ECTS credits at Master’s level, including an independent project equivalent to at least 15 credits, or has acquired substantially equivalent knowledge in some other way, is required. More information about the general requirements can be found here. 
• A student has special eligibility for doctoral studies in chemistry if s/he has passed courses of at least 90 higher education credits (or equivalent), of which at least 40 higher education credits are from courses at advanced level (second cycle). More information about the subject specific requirements can be found here. 
• Very good English proficiency in speech and writing.

Great emphasis will be placed on personal qualities such as good collaborative skills, motivation and independence, as well as how the applicant through his/her experience and competence is judged to have the abilities necessary to develop within and acquire the doctoral education.

Additional qualifications
We are looking for a highly driven person, who shows a clear capability of being able to perform research work independently and can work effectively in a team. Primarily, we are looking for a chemist or physicist, but other backgrounds may be acceptable as long as your curriculum contains a strong chemistry component. You must have a strong interest and documented experience in scientific programming, in particular in Python, PyTorch or similar.  

PhD students at the department are typically engaged in teaching at BSc and MSc level. Prior experience from teaching/mentoring, also from non-academic contexts, and outreach can therefore be considered a merit.

Rules governing PhD students are set out in the Higher Education Ordinance chapter 5, §§ 1-7 and in Uppsala University's rules and guidelines.

About the employment
The employment is a temporary position according to the Higher Education Ordinance chapter 5 § 7. Scope of employment 100 %. Starting date 1 June 2025 or as agreed. Placement: Uppsala

For further information about the position, please contact: Prof Sebastian Westenhoff sebastian.westenhoff@kemi.uu.se, +46 73 469 72 67.

Please submit your application by 30  April 2025, UFV-PA 2025/1110.

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