PhD student in Computational Materials Chemistry Full-time NEW

PhD Student In Computational Materials Chemistry

Uppsala University, Department of Chemistry – Ångström Laboratory

The Department of Chemistry – Ångström conducts research and education in the chemistry field. The department has more than 270 employees and has a turnover of 300 million SEK. At the department's six programs, we conduct very successful research of a high international standard. We have a large number of externally funded research projects, often with international cooperation and we see continued good growth in our subject area. The department has education assignments in engineering programs and master's programs.

We are looking for a motivated and ambitious student to conduct theoretical studies of ion transport in solid-state battery materials. The goal of the project is to advance the fundamental understanding of the mechanisms governing ion transport in solid-state polymer electrolytes for Li-ion batteries.

The research will focus on developing new and computationally efficient strategies for multiscale modelling, enabling systematic studies of ion conductivity in complex battery materials on a large scale. Model-generated data will be used to identify key relationships between material structure and ionic conductivity through advanced data-mining and machine-learning methods. The expected scientific outcome is to establish guidelines for identifying and optimizing promising electrolyte materials and to support the development of future generation battery technologies.

The project is funded by the Swedish Research Council (VR), and will be carried out within the Structural Chemistry research program at Uppsala University which hosts both the Computational Materials Chemistry research environment and the Ångström Advanced Battery Centre (ÅABC). The PhD student will be an active member of both environments.

The main duties of doctoral 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 (no more than 20%).

The candidate must have:

• been awarded a second-cycle qualification, or
• satisfied the requirements for courses comprising at least 240 credits of which at least 60 credits were awarded in the second cycle, or
• acquired essentially equivalent knowledge in some other way in Sweden or abroad.
• degree or equivalent as above in Chemistry, Physics, Materials Science or Data Science.
• very good oral and written proficiency in English.

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant's experience and skills complement and strengthen ongoing research within the department, and how they stand to contribute to its future development.

A background within material science is desired, with Physics and/or Chemistry specialization as is strong data handling and programming skills, and experience of using computational tools for materials modelling.

The employment is a temporary position according to the Higher Education Ordinance chapter 5 § 7. Scope of employment 100%. Starting date 2026-09-01 or as agreed. Placement: Uppsala.

For further information about the position, please contact: Amber Mace, amber.mace@kemi.uu.se

Please submit your application by 30 April 2026, UFV-PA 2026/1008.