Postdoctoral position in computational chemistry

Do you want to work with computational chemistry, with the support of competent and nice colleagues in an international environment? Do you want an employer who invests in sustainable employeeship and offers secure, affordable working conditions? Welcome to apply for a postdoctoral position at Uppsala University.

The programme for computational biology and bioinformatics at the Department of Cell and Molecular Biology is a broad range of research topics, from sequence-based bioinformatics, pharmaceutical design and enzymatics to method development in computational chemistry. The group led by Prof. David van der Spoel is researching force fields for molecular simulation. They have their own machine learning software, Alexandria Chemistry Toolkit, which, based on quantum chemistry calculations, derives complete force fields. This gives us unique opportunities to put the new topic, force field research, on the agenda, which we believe will redraw the map for how to implement accurate, physics-based force field simulations. Read more on https://www.uu.se/institution/cell-och-molekylarbiologi/forskning/berakningsbiologi-och-bioinformatik/van-der-spoel-labb This postdoctoral position is part of the eSSENCE research school for data-driven research. At school, the challenges of data-driven research are addressed both from a fundamental methodological point of view and from an application-oriented point of view. The school is a meeting place where experts in computational science, computer science, and system and methodology research collaborate closely with researchers in data-driven applications, aiming to accelerate data-based discoveries for the benefit of research, industry and society at large. eSSENCE is a strategic collaboration within e-Science between three Swedish universities with a strong tradition of high-quality research in e-Science: Uppsala University, Lund University and Umeå University. https://www.essenceofescience.se/ Tasks You will work in a new collaboration with Prof. Daniel Brandell, Kemi-Ångström, within the subject of In order to reduce the environmental load of batteries, we will especially work against batteries based on sodium instead of lithium ions. Within the project you will perform quantum chemistry calculations, train force fields, perform molecular dynamics simulations and validate force fields using both quantum calculations and experimental measurements that will be made in Prof. Brandell Electrolyte materials that you design may be synthesized by the partner for direct experimental feedback.

Qualification requirements Doctoral degree in chemistry or a degree that is considered equivalent to a doctoral degree in chemistry. The degree must be completed no later than the time when the employment decision is taken. In particular, the person who has completed a degree not exceeding three years ago should be considered. When calculating the three-year framework period, the starting point is the closing date for applications. If there are special reasons, such a degree may have been completed earlier. Special reasons include leave due to illness, parental leave, positions of trust in trade unions, etc.

You should have; good knowledge of organic and inorganic chemistry, documented experience of computational chemistry, documented experience of programming in Python, social competence, because you will work in a collaborative project, and master the English language fluently.

Wishful/meritating otherwise Experience of high-performance computing, experience in programming in C++, experience in software development in a team, experience in battery research, and experience in Linux tools.

If the employment is limited in time for two years according to a central collective agreement. The scope is full-time. Access 2027-01-01 or by agreement. Location: Uppsala Information about the position is provided by: David van der Spoel, +46184714205, david.vanderspoel@icm.uu.se In this recruitment we have replaced the personal letter with questions that you answer in connection with your application. The responses will be used as part of the selection process.

Welcome with your application by 30 October 2026, UFVPA 2026/2843.

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 7 500 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 https://uu.se/om-uu/jobba-hos-oss/ The employment may be safety tested. In the case of security clearance, a condition for employment is that applicants are approved.

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