Postdoc in computational chemistry
Do you want to work with computational chemistry, supported by competent and friendly colleagues in an international environment? Do you want an employer that invests in sustainable employee relations and offers secure, beneficial working conditions? Welcome to apply for a position as a postdoc at Uppsala universitet.
The program for computational biology and bioinformatics at the department of cell and molecular biology hosts a wide range of research topics, from sequence-based bioinformatics, drug design, and enzymology to method development within computational chemistry. The group led by Prof. David van der Spoel researches force fields for molecular simulation. They have their own machine learning software, Alexandria Chemistry Toolkit, which derives complete force fields based on quantum chemical calculations. This gives us unique opportunities to put the new field, force field research, on the agenda, which we believe will redraw the map of how accurate, physics-based force field simulations are conducted. Read more at https://www.uu.se/institution/cell-och-molekylarbiologi/forskning/berakningsbiologi-och-bioinformatik/van-der-spoel-labb
This postdoc position is part of the eSSENCE doctoral school for data-driven research. Within the school, the challenges of data-driven research are approached from both a fundamental methodological perspective and an application-oriented perspective. The school is a meeting place where experts in computational science, computer science, as well as systems 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 universitet, Lund universitet, and Umeå universitet. https://www.essenceofescience.se/
Tasks
You will work within a new collaborative project with Prof. Daniel Brandell, Kemi-Ångström, on the topic ”Machine learning to design electrolytes for sodium batteries”. To reduce the environmental impact of batteries, we will work specifically towards batteries based on sodium instead of lithium ions. Within the project, you will perform quantum chemical calculations, train force fields, perform molecular dynamics simulations, and validate the force fields using both quantum calculations and experimental measurements that will be conducted in Prof. Brandell’s lab. Electrolyte materials that you design may be synthesized by the partner for direct experimental feedback.
Qualification requirements
A doctoral degree in chemistry or a degree deemed to correspond to a doctoral degree in chemistry. The degree must be completed no later than when the employment decision is made. Primarily, candidates who have obtained their degree at most three years ago should be considered. When calculating the three-year period, the starting point is the application deadline. If there are special reasons, such a degree may have been obtained earlier. Special reasons refer to leave due to illness, parental leave, positions of trust within trade unions, etc.
You must have;
good knowledge of organic and inorganic chemistry, documented experience in computational chemistry, documented experience in programming in Python, social competence, as you will work in a collaborative project, and be fluent in the English language.
Other desirable/merit qualifications
Experience of large-scale data calculations (high-performance computing), experience of programming in C++, experience of software development in a team, experience of battery research, as well as experience of Linux tools.
About the employment
The employment is fixed-term for two years according to the central collective agreement. The scope is full-time. Start date 2027-01-01 or by agreement. Location: Uppsala
Information about the employment 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 answers will be used as part of the selection process.
Welcome with your application no later than October 30, 2026, UFV-PA 2026/2843.
Uppsala universitet 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 universitet one of the country's most exciting workplaces.
Read more about our benefits and what it is like to work at Uppsala universitet
https://uu.se/om-uu/jobba-hos-oss/
The employment may be subject to security clearance. In the case of security clearance, it is a prerequisite for employment that the applicant is approved.
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