Postdoctoral Researcher in Material Modeling of Chemical Stability in Water-Based Organic Redox Flow Batteries

The Department of Chemistry - Ångström conducts research and education in the field of chemistry.

The department has 270 employees and a turnover of 300 million SEK. At the department's six programs, highly successful research of international caliber is conducted. We have a large number of externally funded research projects, often with international collaboration, and we see continued good growth in our field. The department has educational assignments within engineering and master's programs. More information can be found on our website (https://kemi.uu.se/angstrom).

Work with us (https://www.uu.se/om-uu/jobba-hos-oss/).

Job Responsibilities

This postdoctoral position is part of the AFLOW consortium, funded by the Swedish Energy Agency, and focuses on material modeling of chemical stability in water-based organic redox flow batteries. The main goal is to develop a molecular understanding of electrolyte degradation and to predict chemical stability by constructing reaction networks based on density functional theory and free energy calculations in explicit solvents. The postdoctoral research will utilize machine learning-accelerated methods throughout the workflow, contribute to the development of new computational tools, and implement these on a cloud-based platform. The work will bridge fundamental electrochemical reactivity and practical electrolyte and material design, thereby directly contributing to improved longevity and reliability of water-based organic redox flow systems. The project involves close collaboration with partners within the AFLOW consortium and includes the opportunity for a short research stay at Compular AB, where the postdoc will work on industry-related modeling workflows and application-oriented questions.

The main responsibilities for a postdoc are to conduct research. They may also include teaching, up to 20% of the working time.

Qualifications:

PhD in Chemistry or Physics or a foreign degree deemed equivalent to a doctorate. The degree must be completed by the time the employment decision is made. Preference should be given to those who have completed their degree within the last three years. When calculating the three-year frame, the last application date is the starting point. If there are special reasons, such a degree may have been obtained earlier. Special reasons refer to leave due to illness, parental leave, trust assignments within trade unions, etc.

The assessment of applications is primarily based on the applicant's ability to conduct independent research based on scientific competence. Greater weight is placed on the quality of each individual scientific work than the quantity of publications.

Consideration is also given to good collaborative skills, drive, and independence, as well as how the applicant's experience and competence complement and strengthen ongoing research within the department and how they can contribute to its future development.

The applicant must have:

• Excellent written and spoken English skills.
• Experience with DFT-based molecular dynamics simulations and free energy calculations (e.g., metadynamics and free energy perturbation) in condensed phase systems.
• Programming skills in Python.

Desirable/meritorious skills

• Previous experience with kinetic Monte Carlo.
• Previous experience with machine learning applications in molecular modeling, including experience with at least three of the following Python libraries: TensorFlow, PyTorch, JAX, RDKit.
• Previous experience with coding using GitHub.
• Previous experience with cloud-based platforms.

About the Employment

The position is temporary for 2 years. The extent is 100%. Start date 2026-06-01 or by agreement. Location: Uppsala

For inquiries about the position, please contact: Dr. Chao Zhang ([email protected] (mailto:[email protected]) and +4618-471 3721), Dr. Rasmus Andersson ([email protected] (mailto:[email protected]))

Welcome with your application by 2026-02-12, UFV-PA 2026/82.

Uppsala University is a broad research university with a strong international position. The ultimate goal is to conduct education and research of the highest quality and relevance to make a difference in society. Our most important asset is all 7,600 employees and 53,000 students who, with curiosity and commitment, make Uppsala University one of the country's most exciting workplaces.

Read more about our benefits and what it's like to work at Uppsala University here (https://uu.se/om-uu/jobba-hos-oss/).

The position may be subject to security clearance. A prerequisite for employment is that the applicant is approved during the security clearance.

We kindly decline offers of recruitment and advertising assistance.

Applications are received in Uppsala University's recruitment system.

Union representatives: Saco-S - [email protected] (mailto:[email protected]), Seko - [email protected] (mailto:[email protected]), ST (OFR/S) - [email protected] (mailto:[email protected])