Postdoctoral Fellow in Computational Materials Chemistry


Ref. No. SU FV-0383-24

at the Department of Materials and Environmental Chemistry. Closing date: (28 February 2024) Prolonged application time - new closing date 13 March 2024.

Department of Materials and Environmental Chemistry is one of the biggest departments at the Faculty of Science with about 160 employees. Profiled research are within Materials and Structural Chemistry as well as Analytical Chemistry.

Project description
The aim of the overall project is to provide theoretical tool to comprehensively understand the physical and chemical interaction of 1,2,4-triazoloium-based ionic liquids and their polymers with CO2. It includes but is not limited to molecular dynamics simulations and density functional theory computations. The two key focuses are i) how the intermolecular interaction works to enhance the affinity of 1,2,4-triazolium-based ionic liquids and their polymers towards CO2 molecules. The knowledge obtained here will be used to explain the high CO2 uptake and the sorption selectivity of 1,2,4-triazolium-based porous polymers.  ii) how the chemical structure design of the 1,2,4-triazolium-based ionic liquids and their polymers impacts the reaction intermediate thus the reaction mechanism in the cycloaddition reaction of CO2 with epoxide or other compounds. The knowledge obtained here will be used to explain and predict the structure-property-function relationship of 1,2,4-triazolium-based porous polymers in terms of their catalytic conversion of CO2 to cyclic carbonates and other molecular products.

Main responsibilities
The postdoc will focus on the development of theoretical tools to assist our understanding of physicochemical properties and catalytic performance of 1,2,4-triazolium-based ionic liquids and their polymers towards CO2. Characterization methods, such as infrared spectroscopy and nuclear magnetic resonance spectroscopy, are also involved to provide analytic data for mechanistic understanding. Development of collaborative projects with PhD students, master students and other postdocs are also a part of the main responsibilities.

Qualification requirements
Postdoctoral positions are appointed primarily for purposes of research. Applicants are expected to hold a Swedish doctoral degree or an equivalent degree from another country.

Assessment criteria
The degree must have been completed at latest before the employment decision is made, but no more than three years before the closing date. An older degree may be acceptable under special circumstances. Special reasons refer to sick leave, parental leave, elected positions in trade unions, service in the total defense, or other similar circumstances as well as clinical attachment or service/assignments relevant to the subject area.

In the appointment process, special attention will be given to research skills. The selection will be based primarily on scientific excellence and well-documented experience of using computational methods in chemistry. Ability to program is advantageous. Because of the nature of the project, the interest in collaborating with other academic groups and industrial project partners will also have some importance. Good knowledge in English, both written and spoken, is required. The choice of candidate will be based on documented knowledge relevant to the area, published papers, references, interview, and the candidate’s written motivation for seeking the position.

Terms of employment
The position involves full-time employment for a minimum of two years and a maximum of three years, with the possibility of extension under special circumstances. Start date 2024-04-01 or as per agreement.

Stockholm University strives to be a workplace free from discrimination and with equal opportunities for all.

Further information about the position can be obtained professor Jiayin Yuan, telephone 08-16 23 91,, and professor Alexander Lyubartsev,

Union representatives
Ingrid Lander (Saco-S), telephone: +46 708 16 26 64,, Alejandra Pizarro Carrasco (Fackförbundet ST/OFR), telephone: +46 8 16 34 89,, and (SEKO).

Apply for the position at Stockholm University's recruitment system. It is the responsibility of the applicant to ensure that the application is complete in accordance with the instructions in the job advertisement, and that it is submitted before the deadline.

Please include the following information with your application

  • Your contact details and personal data
  • Your highest degree
  • Your language skills
  • Contact details for 2–3 references

and, in addition, please include the following documents

  • Cover letter
  • CV – degrees and other completed courses, work experience and a list of publications
  • Research proposal (no more than 3 pages) describing:
    – why you are interested in the field/project described in the advertisement
    – why and how you wish to complete the project
    – what makes you suitable for the project in question
  • Copy of PhD diploma
  • Letters of recommendation (no more than 3 files)
  • Publications in support of your application (no more than 3 files).

The instructions for applicants are available at: How to apply for a position.

You are welcome to apply!

Stockholm University contributes to the development of sustainable democratic society through knowledge, enlightenment and the pursuit of truth.

Closing date: 13/03/2024

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