Publisher
source

Technical University of Denmark

PhD scholarship

PhD scholarship in Hybrid Quantum Algorithms for Computational X-ray Spectroscopy at DTU Chemistry Technical University of Denmark in Denmark

Degree Level

PhD

Field of study

Computer Science

Funding

Three-year funded PhD scholarship at DTU Chemistry. Salary and appointment terms follow the collective agreement with the Danish Confederation of Professional Associations, with allowance agreed with the relevant union.

Deadline

Sep 13, 2026

Country flag

Country

Denmark

University

Technical University of Denmark

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Keywords

Computer Science
Chemistry
Materials Science
Quantum Chemistry
Mathematics
Computational Chemistry
Quantum Algorithms
Physics

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About this position

PhD scholarship in Hybrid Quantum Algorithms for Computational X-ray Spectroscopy at the Technical University of Denmark (DTU Chemistry), Kgs. Lyngby, Denmark.

This three-year PhD project is funded by the Danish e-Infrastructure Cooperation (DeiC) National Quantum Algorithm Academy and is hosted in the group of Professor Sonia Coriani. The research sits at the interface of quantum chemistry, quantum computing, and computational spectroscopy, with a focus on developing quantum algorithms for noisy-intermediate scale quantum (NISQ) and early-fault-tolerant quantum computing (EFTQC) devices to compute core-level and X-ray spectra.

The project combines quantum linear response theory, Krylov subspace methods, quantum phase estimation variants, and time-domain correlation function techniques. The goal is to build computational frameworks that can predict X-ray spectra accurately enough to support experiments in materials science, life science, catalysis, and molecular chemical physics, while remaining compatible with near-term and emerging quantum hardware. The work is also linked to applications in materials discovery such as batteries, catalysts, and photovoltaics.

The PhD student will collaborate closely with research groups at the University of Southampton, University of Copenhagen, and University of Southern Denmark, and is expected to spend a secondment at the University of Southampton with Dr. Karl Michael Ziems.

Eligibility highlights: a two-year master's degree (or equivalent) in Chemistry, Physics, Mathematics, Computer Science, or Quantum Information Science; strong mathematical background; experience in quantum chemistry, computational spectroscopy, and programming (Fortran/C/C++/Python) is advantageous. Experience with coupled-cluster or multireference methods, quantum computing algorithms for NISQ/EFTQC, and tools such as Qiskit or Pennylane is a plus. Applicants should be highly motivated, independent, and fluent in English.

Funding: the position is a fully funded PhD scholarship with salary and appointment terms according to the Danish collective agreement.

Application deadline: 13 September 2026. Apply online through DTU’s recruitment portal and upload a single PDF containing the required documents.

Funding details

Three-year funded PhD scholarship at DTU Chemistry. Salary and appointment terms follow the collective agreement with the Danish Confederation of Professional Associations, with allowance agreed with the relevant union.

What's required

Applicants must have a two-year master's degree (120 ECTS) or equivalent in Chemistry (preferably theoretical/computational chemistry), Physics, Mathematics, Computer Science, or Quantum Information Science. Strong mathematical background is preferred, along with experience in quantum chemistry, computational spectroscopy, and programming in Fortran, C/C++, and/or Python. Additional advantages include experience with correlated wavefunction methods (e.g. Coupled Cluster or multireference methods), development of quantum computing algorithms for NISQ and/or early fault-tolerant quantum computers, and familiarity with Qiskit or Pennylane. Applicants must be highly motivated, able to work independently, confident in written and spoken English, and willing to collaborate and support junior group members.

How to apply

Apply online via the DTU job portal using the 'Apply now' link. Submit one PDF in English containing a cover letter, CV, grade transcripts and BSc/MSc diploma with grading scale, publication list if any, and up to three reference scientists. Applications must be submitted by the deadline and the master's degree must be obtained before starting.

More information can be found here

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