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source

Technical University of Denmark

DTU Alliance PhD scholarships

Fully Funded PhD in Computational Materials Modelling for Sustainable Energy Storage at DTU Energy Technical University of Denmark in Denmark

Degree Level

PhD

Field of study

Computer Science

Funding

Two fully funded PhD positions/scholarships are offered at DTU Energy. The projects are part of DTU Alliance PhD collaborations and include six months at the partner university; funding details beyond full support are not specified in the post.

Deadline

Oct 12, 2026

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Country

Denmark

University

Technical University of Denmark

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Ongoing program

DTU PhD Scholarship

by Technical University of Denmark (DTU)

Fully Funded
PhD
Typically 3 Years
Denmark

DTU PhD Scholarships are funded doctoral positions at the Technical University of Denmark for candidates with a relevant master's degree and strong research potential.

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Keywords

Computer Science
Chemistry
Electrical Engineering
Chemical Engineering
Materials Science
Energy Storage
Sustainable Energy
Dft
Physics
Computational Materials Science
ML

About this position

DTU Energy at the Technical University of Denmark is advertising two fully funded PhD scholarships in computational materials modelling for sustainable energy storage and related energy technologies.

The positions are part of DTU Alliance PhD projects and are jointly supervised across institutions. Each computational PhD student at DTU will work closely with a complementary experimental PhD student at an international partner university and will spend six months at the partner institution.

PhD 1 focuses on photo-rechargeable solar batteries in collaboration with Tecnológico de Monterrey, Mexico. The research combines DFT, atomistic interface modelling, defect physics, and charge-transfer calculations to design Bi-doped Sb₂S₃/g-C₃N₄ heterostructures for solar-energy conversion and electrochemical energy storage.

PhD 2 focuses on AI-guided design of sustainable carbon electrodes in collaboration with the University of Nairobi, Kenya. This project combines atomistic modelling, electronic-structure calculations, and machine learning/AI to design high-performance carbon electrodes derived from sustainable waste resources.

The ideal background includes computational physics, chemistry, materials science, electronic-structure theory, atomistic simulation, and/or machine learning for materials. The post highlights strong interdisciplinary collaboration between computation, AI, and experiment.

Location: DTU Energy, Technical University of Denmark, Copenhagen, Denmark.

Deadline: 12 October 2026. Expected start: January 2027 or by agreement.

Interested candidates should apply via the provided application link and review the full posting for project-specific details.

Funding details

Two fully funded PhD positions/scholarships are offered at DTU Energy. The projects are part of DTU Alliance PhD collaborations and include six months at the partner university; funding details beyond full support are not specified in the post.

What's required

Applicants should have a strong background in computational physics, chemistry, materials science, electronic-structure theory, atomistic simulation, and/or machine learning for materials. The post seeks ambitious PhD researchers and especially excellent MSc students or early-career researchers interested in collaborative computational-experimental work.

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