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Molecular dynamics simulations are a powerful tool for studying both biomolecular as well as industrial processes. But these processes often exceed simulation time scales. In most cases of interest, processes involve crossing free-energy barriers. The sampling of such transitions can be enhanced exponentially using enhanced sampling methods, such as the Accelerated Weight Histogram Method (AWH) implemented in the GROMACS molecular simulation package. To apply such methods a reaction coordinate is needed, which is often challenging to obtain. In this project you will explore possibilities for using higher dimensional reaction coordinates, thereby increasing the success rate. This needs to be done in a controlled way to limit the sampling space. The AWH method can provide guidance here in the form of a metric. We have challenging, relevant problems at hand, for instance conformational transitions in different classes of membrane proteins.
What we offer
A position at a leading technical university that generates knowledge and skills for a sustainable future
Engaged and ambitious colleagues along with a creative, international and dynamic working environment
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About the employment
The position offered is for, at the most, two years.
A position as a postdoctoral fellow is a time-limited qualified appointment focusing mainly on research, intended as a first career step after a dissertation.
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About KTH
KTH Royal Institute of Technology in Stockholm has grown to become one of Europe’s leading technical and engineering universities, as well as a key centre of intellectual talent and innovation. We are Sweden’s largest technical research and learning institution and home to students, researchers and faculty from around the world. Our research and education covers a wide area including natural sciences and all branches of engineering, as well as architecture, industrial management, urban planning, history and philosophy. Read more here
Type of employment: Temporary position Contract type: Full time First day of employment: According to agreement Salary: Monthly salary Number of positions: 1 Full-time equivalent: 100% City: Stockholm County: Stockholms län Country: Sweden Reference number: PA-2025-1329 Contact:
