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Linköping University

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PhD position in Materials Science Linköping University in Sweden

Degree Level

PhD

Field of study

Computer Science

Funding

Doctoral position within WISE, funded by the Knut and Alice Wallenberg Foundation; doctoral salary follows a local salary scale.

Deadline

Nov 13, 2026

Country flag

Country

Sweden

University

Linköping University

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Keywords

Computer Science
Molecular Dynamics
Organic Electronics
Ion Transport
Multiscale Modeling
Electron Transport
High Performance Computing
Charge Transport
Computational Materials Science
ML

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About this position

This PhD project is based at the Laboratory of Organic Electronics (LOE) at Linköping University and focuses on computational materials science for organic functional materials. The research aims to understand how ions and electronic charge carriers move together across multiple length and time scales, with direct relevance for emerging energy technologies such as organic batteries, mixed ionic-electronic conductors, and electrochemical components.

The doctoral student will work on building a multiscale modelling framework that connects atomistic simulations with charge-transport models. A central part of the project is the development and implementation of a delocalized kinetic Monte Carlo method for simulating coupled electron and ion transport on parallel high-performance computing systems. The project also uses molecular dynamics simulations to generate the structural and electronic information needed for the Monte Carlo model, and machine learning to accelerate transition-rate calculations and rare-event prediction.

The work is embedded in a highly international and collaborative research environment with more than 150 researchers, including professors, researchers, and doctoral students. The student will be part of the Materials Science group within the Theory and Modeling unit at LOE, where experimental and theoretical researchers work closely together on organic electronics, energy technology, printed electronics, bioelectronics, and nano-optics.

The project is also part of the Wallenberg Initiative Materials Science for Sustainability (WISE), linking the position to a national research school and a broader network in sustainable materials research.

Funding details

Doctoral position within WISE, funded by the Knut and Alice Wallenberg Foundation; doctoral salary follows a local salary scale.

What's required

An advanced degree in physics, applied physics, materials science or a related field is required, or at least 240 higher education credits with at least 60 credits at advanced level in a relevant area, or equivalent knowledge. The ideal candidate has a strong interest in interdisciplinary research at the intersection of physics, materials science, scientific programming and energy technology. Experience with scientific programming in C++, Fortran or similar languages, machine learning for scientific applications, Monte Carlo simulations, and molecular dynamics simulations is meritorious. Applicants should have strong analytical ability, be able to solve complex problems, work well in a collaborative, interdisciplinary and international research environment, and have very good communication skills.

How to apply

Apply via the 'Ansök' button using the application link provided. Submit your application to Linköping University by 13 November 2026. Late applications will not be considered.

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