PhD Scholarships in Battery Modelling and Fabrication

About the role

Two fully funded PhD positions at DTU Energy on next-generation potassium-sulfur batteries with self-healing interfaces. One position focuses on AI-enhanced computational modelling; the other on experimental synthesis and electrochemical characterisation. Both are three-year fixed-term roles, with a preferred start of 1 January 2027. Deadline: 1 August 2026 at 23:59 Danish time.

Responsibilities

Computational position:

• Develop AI-enhanced multiscale models combining density functional theory, molecular dynamics, and machine learning to simulate ion transport and interfacial degradation in K-S batteries.
• Build a modelling-experimental feedback loop to accelerate materials discovery in collaboration with the experimental team.

Experimental position:

• Synthesise solid-state electrolytes and model electrode materials.
• Characterise interfaces using operando and post-mortem electrochemical techniques.
• Test and validate self-healing strategies for battery interfaces.

Both positions include presenting at international conferences and co-authoring papers in top energy and materials journals.

Requirements

• Two-year Master’s degree (120 ECTS points) or equivalent in computational or theoretical physics, chemistry, materials science, or electrochemical engineering.
• Strong English communication skills (written and oral).
• For the computational role: proven experience in materials modelling, DFT, or molecular dynamics.
• For the experimental role: hands-on experience in electrochemistry, materials synthesis, or battery fabrication.
• Ability to work independently and manage project milestones.

Nice to have

• Experience with machine learning potentials or force fields.
• Familiarity with operando X-ray or neutron characterisation.
• Publications or conference presentations in energy materials.

How to apply

Submit a single PDF to the DTU application portal at the apply link above. The PDF must include: cover letter specifying computational or experimental track, CV, academic transcripts and degree certificate, list of publications (if any), and contact details of at least two references. All materials must be in English. Deadline: 1 August 2026.