Researcher in theoretical inorganic materials chemistry with focus on dynamical simulations at solid-liquid interfaces

Uppsala University


October 22, 2021


Researcher in theoretical inorganic materials chemistry with focus on

dynamical simulations at solid-liquid interfaces

Published: 2021-10-08

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.

The Department of Chemistry - Ångström conducts research and education in the chemistry field. The department has more than 250 employees and has a turnover of 250 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. More information is available on our website.

Project description: Inorganic structural chemistry is a strong international research area at the border area of chemistry, physics and technology, where modelling has become an increasingly important tool for understanding dynamic processes at the atomic level. The trend is towards modelling of ever larger and more complex systems. The current research task involves using, and partly developing, advanced methods for simulating and characterizing interfaces between functional metal oxides and liquids as well as battery-relevant systems in the context of the BIG-MAP pan-European project. For validation of the calculation results, interaction with experimentalists will be an important component of the work.

Duties : The tasks as a researcher mainly include conducting research as described below. Teaching can be included in the tasks, but not more than one-fifth (20%) of the working hours.

The research task consists of solving chemical problems in the assigned research areas using the following methods: Statistical DFT simulations, TBMD and AIMD, classical atomistic and "coarse-grained" MD as well as metadynamics and thermodynamic integration for free energy calculation, with programs such as CP2K, Quantum Espresso, Gromacs, Plumed.The research task also includes some method development and implementation of self-written programs.

The tasks may also include supervision of degree workers and doctoral students, work with applying for external research funding, and administration linked to the tasks above.

Requirements : To qualify for employment as a researcher, the applicant must possess a doctoral degree (or a foreign degree that is deemed to correspond to a doctoral degree) in physical or inorganic chemistry or related subject. Thorough knowledge, and own experience, of the techniques mentioned in the tasks above are required, as well as of metal oxide-water interfaces and phenomena. Programming knowledge in Python and Fortran / C are necessary.

The assessment of the applications is based primarily on the applicant's ability to conduct independent research based on scientific skill. Strong emphasis is placed on the quality of individual scientific works than on the number of publications. Large emphasis will also be placed on personal qualities such as good collaboration skills, drive and independence , as well as how the applicant, through his/her experience and competence, is judged to complement and strengthen ongoing research within the department and contribute to its future development.

Desirable qualifications: Experience of calculating experimentally relevant quantities is a merit.

Application procedure: The application should include a statement of research interest, CV, certificates of exams, degrees and grades, a copy of Master thesis, published article or relevant materials, if available. Also, contact information of at least two reference persons should be included.

Salary: Individual pay.

Starting date: 01-11-2021 or as otherwise agreed.

Type of employment: Temporary part-time position (100 %) for 2 years.

Scope of employment: 100 %

For further information about the position, please contact: Kersti Hermansson, 018-4713767,

Please submit your application by 22 October 2021, UFV-PA 2021/3750.

Are you considering moving to Sweden to work at Uppsala University? If so, you will find a lot of information about working and living in Sweden at www. You are also welcome to contact International Faculty and Staff Services at

Please do not send offers of recruitment or advertising services.

Submit your application through Uppsala University's recruitment system.

Placement: Department of Chemistry - Ångström Laboratory

Type of employment: Full time , Temporary position longer than 6 months

Pay: Individuell lönesättning

Number of positions: 1

Working hours: 100 %

Town: Uppsala

County: Uppsala län

Country: Sweden

Union representative: Seko Universitetsklubben ST/TCO Saco-rådet

Number of reference: UFV-PA 2021/3750

Last application date: 2021-10-22

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