Researcher in Focus on Theoretical Modelling of Interfaces

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, we conduct highly successful research of an international standard. We have a large number of externally funded research projects, often with international collaboration, and we see continued strong growth in our subject area. The department provides education within engineering and master’s programs. More information is available on our website.

Duties

The main task as a researcher is to conduct research as described below. Teaching may be included, but no more than one-fifth (20%) of the working time.

Our activities are primarily within theoretical/computational chemistry, focusing on increasingly complex questions where the interplay between different phases is crucial for success. Interface systems—whether involving material transitions, biological systems, energy-conversion devices  or other technical applications—often represent the critical point where materials and molecular functionality is determined. The research task involves establishing a research direction involving advanced methods to simulate   between functional chemically active surfaces and molecules/liquids. Central methodologies include: static DFT calculations; TBMD and AIMD; classical atomistic and coarse-grained molecular dynamics; and enhanced-sampling free-energy methods (e.g., metadynamics and thermodynamic integration) to quantify adsorption and interfacial reaction processes.  The research also includes method development and implementation of custom-written programs to analyze simulation results.

Qualification Requirements

To qualify for the position as a researcher, the applicant must hold a PhD degree, or a foreign degree deemed equivalent, in physical or inorganic chemistry or related subjects. Furthermore, substantial and documented experience is required regarding:

• Development and application of physical and data-based models for describing complex materials and (re)active molecules with a focus on their interfaces.
• Development and implementation of new methodologies and algorithms for simulating complex systems.
• Development and application of theoretical tools that combine experimental data and  atomistic computer simulations to provide a comprehensive picture that is difficult to achieve through experiments alone.
• A visionary ability to translate theoretical insights into practical solutions.
• Knowledge and hands-on experience with the techniques mentioned above, including advanced programming skills in Python and Fortran/C.
• Strong collaborative skills, drive, and independence. Experience and expertise that demonstrate potential to complement and strengthen ongoing research within the department and potential to contribute to its future development.
• Documented and substantial experience of collaboration with experimentalists.

Assessment of applications will primarily be based on the applicant’s ability to conduct independent research founded in scientific excellence, as well as personal qualities such as good collaborative skills, drive, and independence. Regarding publications, greater emphasis will be placed on the quality of individual scientific works than on the number of publications.

About the Employment

The position is permanent and full-time. Starting date February 1, 2026. Location: Uppsala.

For further information about the position, please contact: Peter Broqvist, peter.broqvist@kemi.uu.se, +46 70 371 8614.

Welcome with your application no later than day 8 January, UFV-PA 2025/3945.