PhD Stipend in Materials Chemistry and Computational Science

4 days ago


Aalborg, Ålborg Kommune, Denmark Aalborg Universitet Full time
Research Opportunities in Sustainable Energy Materials

Aalborg University is seeking a talented researcher to join its team working on designing the next generation of sustainable energy materials using computational chemistry and machine learning.

The successful candidate will be part of a dynamic research group focusing on developing new materials for improved battery technologies. This project is part of the Villum Young Investigator project titled 'Entropy in materials design: Accelerated discovery of disordered solid electrolytes', which aims to develop computational predictions of disordered crystalline materials and apply these to discover novel solid-state electrolytes for batteries.

This PhD project will focus on developing methods combining density functional theory calculations with machine learning to predict finite temperature stability of materials by including vibrational and substitutional disorder. In collaboration with other team members, these methods will be applied to design disordered solid electrolytes.

The ideal candidate should have a strong background in materials chemistry and excellent analytical skills. Proficiency in scientific programming (e.g., in Python) is also required. Experience with machine learning, density functional theory calculations, and/or molecular dynamics simulations is considered highly advantageous.



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