PhD scholarship in Self-driving Labs for Ligand Design in Nanocrystal Synthesis and Catalysis - DTU Chemistry

Are you interested in using automation and machine learning to make the discovery of new materials and catalysts faster and more sustainable? Do you want to start your scientific career building self-driving laboratories at the interface between computational chemistry, nanomaterials synthesis, and reaction engineering? Join us at DTU Chemistry for this DTU Alliance project, run jointly with North Carolina State University (NCSU), to make the choice of ligand a continuous, model-driven design parameter inside closed-loop self-driving labs for nanocrystal synthesis and homogeneous catalysis. We’re seeking a highly motivated PhD student willing to learn and combine computation, synthesis, and automation to join a new research group led by Assistant Professor Jakob Dahl, with co-supervision by Professor Milad Abolhasani at NCSU and Associate Professor Jerrik Mielby at DTU.

Responsibilities and qualifications
This PhD project aims to make ligand identity — the molecules that bind to metals, surfaces, and reactive species and that steer selectivity, solubility, and nanocrystal phase — a continuous design variable inside self-driving labs, rather than a fixed choice set at the start of a campaign. Your role will be to build a computational ligand library using DFT and cheaper surrogate models, integrate it into closed-loop self-driving labs at NCSU, and establish a sister plate-based synthesis node at DTU focused on high-throughput synthesis and optical characterization of nanocrystals and characterize changes in synthesis and properties as a function of ligands. You will also statistically validate your models, suggest and run experiments, draft publications and present your results. The project includes a six-month research stay at NCSU early in the study.

Here's what the ideal candidate will bring to the project:

• MSc in Chemistry, Chemical Engineering, Materials Science, Data Science, or a related discipline
• Enthusiasm, creativity, and a can-do attitude
• Excellent communication skills in English (both spoken and written)
• Willingness to spend an extended research stay abroad at our partner university in the US
• Experience with chemical synthesis, analysis and programming
• Familiarity with two or more of the following areas: nanocrystal or colloidal synthesis, transition metal / homogeneous catalysis, computational chemistry (DFT), machine learning and Bayesian optimization, laboratory automation or high-throughput experimentation

Documented scientific achievements and experience in the above areas will be considered an advantage, but are not a prerequisite.

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.

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
Associate Professor Jerrik Mielby and Assistant Professor Jakob Dahl will assess the applicants.

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. The allowance will be agreed upon with the relevant union.

The period of employment is 3 years. The starting date is January 1st, 2027, or by mutual agreement. The position is a full-time position and includes a six-month research stay at North Carolina State University.

You can read more about career paths at DTU here.

Further information
Further information about the open PhD position may be obtained from Assistant Professor Jakob Dahl at [email protected]

You can read more about DTU Chemistry at .

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 15 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
• Contact details of two individuals that can provide a letter of reference.
• Description of scientific contributions, if any. DO NOT upload scientific articles
• A brief video (or link to video) of max. 2 minutes introducing yourself.

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 Chemistry performs research, educational activities, and innovation at a high international level within e.g. energy, catalysis, and materials. The overall aim is to contribute with new knowledge about basic scientific problems and carry out research with vast application perspectives - to the benefit of both society and companies.

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.