PhD scholarship in Hybrid Quantum Algorithms for Computational X-ray Spectroscopy on Noisy-Intermediate Scale and Early-Fault-Tolerant Quantum Computers - DTU Chemistry

Funded by the Danish e-Infrastructure Cooperation - DeiC National Quantum Algorithm Academy, we have an opening for a three-year PhD position in the group of Professor Sonia Coriani at DTU Chemistry to work on the development of quantum algorithms tailored to noisy-intermediate scale (NISQ) and early-fault-tolerant (EFTQC) devices for the computation of core-level spectra.

Responsibilities and qualifications

The project will combine insights from quantum linear response theory, Krylov subspace methods, quantum phase estimation variants, and time domain correlation function techniques. The ultimate goal is to build computational frameworks capable of predicting X-ray spectra with an accuracy sufficient to support experiments in materials and life science, catalysis, and molecular chemical physics in general, while operating within the constraints of near term and emerging quantum hardware. In the long term, this can accelerate materials discovery workflows (design of batteries, catalysts, photovoltaics) and the interpretation of X-ray experiments probing the photophysics and photochemistry of functional molecules in life science.

The project is directly aligned with the Danish quantum vision by providing the algorithms and use-cases to run on forthcoming machines such as Magne.

The project is at the interface of quantum computing and quantum chemistry and is carried out in close collaboration with the research groups of Dr. Karl Michael Ziems (University of Southampton/DTU), Prof. Stephan A. Sauer (University of Copenhagen) and Prof. Jacob Kongsted (University of Southern Denmark). It is expected that the PhD student will spend their secondment at the University of Southampton, UK, with Dr. K.M. Ziems.

Responsibilities

• Development and application of quantum algorithms for computational X-ray spectroscopy on simulators and on Noisy-Intermediate Scale and Early-Fault-Tolerant Quantum Computers
• Dissemination of the results of the research in scientific articles and at conferences
• Participation in the group meetings and activities
• Teaching-related activities at the Department of Chemistry, Technical University of Denmark, including (co)supervision of BSc and MSc student projects

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, in either Chemistry (preferably with a focus on theoretical and computational chemistry), Physics, Mathematics, Computer Science, or Quantum Information Science.

The following additional qualifications are considered as a boon:

• Solid mathematical background and experience within quantum chemistry, computational spectroscopy and programming in Fortran and/or C/C++ and/or Python
• Experience in the development and implementation of correlated wavefunction methods of quantum chemistry, for instance Coupled Cluster or multireference methods.
• Experience on the development of quantum computing algorithms for NISQ and/or (early) Fault Tolerant quantum computers
• Experience with quantum computing software libraries like IBM’s Qiskit or Pennylane

Equally important, you are highly motivated, able to work independently and confident in both written and spoken English. You strive towards scientific excellence, are ambitious and hard working. You enjoy collaborating with others from diverse backgrounds as well as supporting more junior group members. Only applicants, who seek to be among the brightest in their field and do science at the highest international level, will be considered

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 a panel composed by Prof. Coriani, Dr. Karl Michael Ziems, Prof. Sauer and Prof. Kongsted.

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 position is a full-time position.

The position is available and must start at latest 1 December 2026.

You can read more about career paths at DTU here.

Further information
Enquires about the position may be made to Professor Sonia Coriani, soco@kemi.dtu.dk

You can read more about DTU Chemistry at www.kemi.dtu.dk, and about Coriani’s group at https://www.kemi.dtu.dk/english/Research/Physical-Chemistry/sonia-coriani-group

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 13 September 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
• List of publications (if any), including the master and bachelor theses
• List of up to three scientists with whom you have closely worked in your past research, whom we may contact for references

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.

DTU Chemistry is an internationally leading institute with research and teaching in the main areas of chemistry: physical (incl. theoretical/computational), biophysical, organic and inorganic chemistry. Academic excellence, innovation and entrepreneurship are core to its research activities, and drivers of academic and industrial collaborations, spinouts, and high impact publications. The Department has a long-standing tradition of training PhD students and Postdoc fellows who move on to successful careers within academia and industry.

The department actively contributes to both basic chemical research and applied research in energy, pharmaceuticals, catalysis and materials. Strong relationships exist with neighbouring areas such as physics, nanotechnology, biochemistry, including collaboration with industry and universities at home and abroad. Many research projects are also closely linked to applications. The institute has approx. 180 employees.

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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.