We invite applications for two 3-year DTU Alliance PhD scholarships at DTU Energy. The positions connect advanced computational materials modelling with complementary experimental PhD projects at Tecnológico de Monterrey in Mexico and the University of Nairobi in Kenya. Each DTU candidate will work in a joint international team, be co-supervised by both institutions, and complete a six-month research stay at the partner university. The projects address sustainable energy conversion and storage through atomistic simulation, electronic-structure theory, and data-driven modelling.

Projects and responsibilities
Position 1: Photo-rechargeable solar batteries with Tecnológico de Monterrey
You will model Bi-doped Sb2S3/g-C3N4 heterostructures that combine solar-energy conversion and electrochemical storage. Using density functional theory, atomistic interface searches, defect calculations, and charge-transfer analysis, you will determine how composition, defects, band alignment, and interface structure control light harvesting, charge separation, storage, and recombination. Your predictions will guide synthesis, thin-film fabrication, and device testing by the partner PhD student at Tecnológico de Monterrey.

Position 2: AI-guided design of waste-derived carbon electrodes with the University of Nairobi
You will develop a multiscale computational framework for carbon materials made from plastic and agricultural waste. The work will combine autonomous DFT workflows, graph neural networks, machine-learning interatomic potentials, electron-density models, molecular dynamics, and statistical sampling. You will connect disorder, defects, heteroatoms, and porosity with Li, Na, and proton storage and supercapacitor performance. The University of Nairobi PhD student will synthesize, characterize, and test the materials, providing data that will guide and validate your models.

Across both projects, you will contribute to shared datasets, joint publications, and regular cross-institutional supervision. You should enjoy working across computation and experiment in an international research setting.

To be successful in one of these positions, you must have:

• A master's degree in theoretical or computational physics, chemistry, materials science, or a related field.
• A strong foundation in atomistic simulation and electronic-structure methods. Relevant experience may include semiconductor defects and interfaces for Position 1, or machine learning, molecular dynamics, and carbon energy-storage materials for Position 2.
• Programming experience, preferably in Python, experience with HPC platforms, and good written and spoken English. You must also be able to work independently and collaborate across disciplines and institutions.

You must have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree.

Applicable for both scholarships
Approval and Enrolment
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see DTU's rules for the PhD education.

Assessment
The assessment of the applicants will be made by Prof. Juan María García-Lastra and Associate Prof. Arghya Bhowmik.

We offer
DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Salary and appointment terms
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. Please see DTU’s salary structure for scientific staff: www.inside.dtu.dk/en/human-resources/during-employment/salary/salary-structures

The period of employment is 3 years. The employment is expected to start 1 January 2027 or according to mutual agreement.

You can read more about career paths at DTU here.
Further information
Further information about the solar-battery project may be obtained from Prof. Juan María García-Lastra ([email protected]). For information about the waste-derived carbon project, contact Associate Prof. Arghya Bhowmik ([email protected]).

You can read more about DTU Energy at www.energy.dtu.dk

If you are applying from abroad, you may find useful information on working in Denmark and at DTU at DTU – Moving to Denmark. Furthermore, you have the option of joining our monthly free seminar “PhD relocation to Denmark and startup “Zoom” seminar” for all questions regarding the practical matters of moving to Denmark and working as a PhD at DTU.

Application procedure
Your complete online application must be submitted no later than 12 October 2026 (23:59 Danish time).

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply now", fill out the online application form, and attach all your materials in English in one PDF file. The file must include:

• A letter motivating the application (cover letter)
• Curriculum vitae
• Grade transcripts and BSc/MSc diploma (in English) including official description of grading scale

Please indicate which project you are applying for (title from the above list of PhD projectsor individual research projects).

Incomplete applications will not be considered. You may apply prior to ob­tai­ning your master's degree but cannot begin before having received it.

Applications received after the deadline will not be considered.

All interested candidates irrespective of age, gender, disability, race, religion or ethnic background are encouraged to apply. As DTU works with research in critical technology, which is subject to special rules for security and export control, open-source background checks may be conducted on qualified candidates for the position.

The Department of Energy Conversion and Storage (DTU Energy) focuses on research and development of functional materials, components, and systems for sustainable energy technologies. The technologies include fuel cells, electrolysis, power-to-x, batteries, and carbon capture. The research is based on strong competences on electrochemistry, atomic scale and multi-physics modelling, autonomous materials discovery, materials processing, and structural analyses. We also focus on educating engineering students at all levels, ranging from BSc, MSc, PhD to lifelong learning students. We have about 300 dedicated employees. Read more about us at www.energy.dtu.dk.

DTU – For the benefit of society since 1829
DTU is one of Europe's leading elite technical universities. Through research and education at an international top level, we create solutions to the major societal challenges of our time and help secure Europe's global leadership in sustainable technological development. Since Hans Christian Ørsted founded DTU almost 200 years ago, our mission has remained the same: We develop and create value through the natural and technical sciences for the benefit of society. DTU has 13,800 students, 1,600 PhD students, and 6,500 employees. We work in an international environment and have an inclusive, stimulating, and informal work culture. DTU has campuses in all parts of Denmark and in Greenland and collaborates with the best universities around the world.

Location
Kgs. Lyngby, Denmark

Apply Before
2026-10-12T21:59:00+00:00