PhD Stipend/Integrated PhD Stipend in Accelerated Materials Discovery (Computational Chemistry & Machine Learning) Aalborg University in Denmark

Join a vibrant and interdisciplinary research group at Aalborg University’s Department of Chemistry and Bioscience, where you will contribute to the next generation of sustainable energy materials through computational chemistry and machine learning. This PhD Stipend/Integrated PhD Stipend in Accelerated Materials Discovery is part of the Villum Young Investigator project, focusing on entropy in materials design and the accelerated discovery of disordered solid electrolytes for batteries. The project aims to develop computational predictions of disordered crystalline materials and validate them experimentally, targeting novel solid-state electrolytes for improved battery technologies and a carbon-neutral society.

As a PhD student, you will design crystalline solid electrolytes with tailored disorder, combining density functional theory calculations, machine learning, and molecular dynamics simulations. Experimental validation will involve solid state synthesis and materials characterization. The balance between computational and experimental work can be adapted to your interests and expertise. You will join the computational materials chemistry group led by Assistant Professor Kasper Tolborg, benefiting from state-of-the-art infrastructure and a dynamic, collaborative environment within the Section of Disordered Materials.

Applicants should have a strong background in materials chemistry, chemical engineering, materials science, physics, nanoscience, or a closely related field. For the PhD stipend, a master’s degree is required; for the integrated PhD stipend, you must be enrolled in a relevant master’s programme. Essential skills include scientific programming (e.g., Python), analytical abilities, and excellent English communication. Experience with machine learning, density functional theory, molecular dynamics, solid state synthesis, and materials characterization is advantageous. The department values diversity and encourages applications from all backgrounds.

The stipend offers competitive funding: PhD stipend holders are employed for three years as PhD fellows, while integrated PhD stipend holders receive SU-PhD Grants for up to two years during their master’s studies, followed by two years as PhD fellows. Employment terms follow Danish collective agreements. As part of your PhD, you will complete courses (30 ECTS), gain teaching or dissemination experience, and undertake an external research stay (preferably 3–6 months) at a foreign institution.

Aalborg University is a leading research and educational institution with campuses in Aalborg, Esbjerg, and Copenhagen. The Department of Chemistry and Bioscience hosts approximately 150 employees, 75 PhD students, and 775 bachelor and master’s students, fostering a culture of openness, curiosity, and inclusivity. Flexible hours and social activities are offered throughout the year.

To apply, submit your application via the university’s recruitment system, including a motivation statement, CV, diplomas or transcripts, and other relevant documents. The selection process involves shortlisting and assessment by qualified experts. For questions, contact Assistant Professor Kasper Tolborg or the AAU PhD office. The position is open for appointment from 1 September 2026 or soon thereafter.

For more information about the department, visit en.bio.aau.dk. Application link: Apply here.