This PhD scholarship at the Technical University of Denmark (DTU) Chemistry offers an exciting opportunity to explore the fundamental dynamics of molecular systems using advanced theoretical and computational approaches. The project centers on understanding ultrafast (atto- to picosecond) changes in molecules during physical and chemical transformations, with a strong emphasis on interpreting and designing time-resolved experiments such as pump-probe spectroscopy and time-resolved X-ray scattering. As a PhD student, you will join the Physical Chemistry section at DTU Chemistry, supervised by Professor Klaus Braagaard Møller. The research environment is highly collaborative, spanning several groups and departments at DTU, and includes opportunities for international secondments with leading groups abroad (e.g., Irene Burghardt in Frankfurt, Adam Kirrander in Oxford). The project topic will be tailored to your interests and qualifications, with possible areas including quantum and semi-classical theory of molecules, electronic excited-state dynamics and relaxation, materials and light interactions, statistical mechanics, reaction kinetics, and simulation of ultrafast time-resolved experiments. DTU is a globally recognized technical university, known for its excellence in research, education, and innovation. The university fosters an international and inclusive atmosphere, with a commitment to academic freedom and collegial respect. The PhD position is fully funded for three years, with salary and terms based on the collective agreement with the Danish Confederation of Professional Associations. Applicants should have a strong background in theoretical and computational chemistry or molecular physics, excellent analytic, mathematical, and programming skills, and experience with electronic structure calculations (including excited states). Familiarity with wave-packet quantum dynamics (AIMS, MCTDH), mixed quantum-classical dynamics (non-adiabatic MD, SHARC), and open-system dynamics (Lindblad, Redfield, HEOM) is highly desirable. Candidates must hold a two-year master's degree (120 ECTS) or equivalent in theoretical chemistry or physics, and demonstrate strong communication skills in English, independence, and scientific drive. The application deadline is 22 January 2026. To apply, submit your complete application online, including a cover letter, CV, grade transcripts, diploma, and a statement of research interests, all in English as a single PDF file. For further information, contact Professor Klaus Braagaard Møller at [email protected] or visit the DTU Chemistry website. DTU encourages applications from all qualified candidates regardless of background and conducts open-source background checks for research in critical technology. This position provides a unique platform to contribute to cutting-edge research in theoretical chemical dynamics, develop expertise in ultrafast molecular processes, and collaborate internationally within a vibrant scientific community.

This PhD position at the Technical University of Denmark (DTU) offers an exciting opportunity to explore the fundamental dynamics of molecular systems at ultrafast timescales, ranging from attoseconds to picoseconds. The project is situated within the Physical Chemistry section at DTU Chemistry and is supervised by Professor Klaus Braagaard Møller. The research will focus on theoretical and computational approaches to understanding how molecules behave during physical and chemical transformations, with particular emphasis on interpreting and designing time-resolved pump-probe experiments such as X-ray scattering and spectroscopy. As a PhD student, you will have significant influence over the specific topic of your research, which will be decided in collaboration with your supervisors based on your interests and qualifications. Potential research areas include the theory of ultrafast pump-probe experiments, simulations and data processing of ultrafast experimental data, mapping charge and energy transfer in molecular and mesoscopic systems, studying molecular behavior in strong fields, and investigating the dynamics of open quantum systems. The project encompasses a broad spectrum of theoretical and computational chemistry, including quantum and semi-classical theory of molecules, electronic excited-state dynamics and relaxation, materials and light interactions, statistical mechanics, reaction kinetics, and the simulation of ultrafast time-resolved experiments. You will join a vibrant chemical dynamics environment that spans several groups and departments at DTU, and you will have the opportunity for a research secondment abroad in the group of an international collaborator, such as Irene Burghardt in Frankfurt or Adam Kirrander in Oxford. This international exposure will support your project and broaden your scientific network. DTU is a globally recognized technical university known for its excellence in research, education, and innovation. The university fosters an international and inclusive atmosphere, with a commitment to academic freedom and collegial respect. DTU Chemistry provides a supportive environment for scientific growth and collaboration. Funding for this position is secured through a scholarship, with salary and appointment terms based on the collective agreement with the Danish Confederation of Professional Associations. The employment period is three years, and the starting date is flexible according to mutual agreement. The scholarship is subject to academic approval, and the successful candidate will be enrolled in one of DTU's general PhD degree programmes. Applicants must hold a two-year master's degree (120 ECTS points) or an equivalent qualification in theoretical chemistry and/or theoretical physics. Essential qualifications include a strong background in theoretical and computational chemistry/molecular physics, excellent analytic, mathematical, and programming skills, and experience with electronic structure calculations, including excited electronic states. Familiarity with wave-packet quantum dynamics (AIMS or MCTDH), mixed quantum-classical dynamics (SHARC), or open-system dynamics (Lindblad, Redfield, HEOM) is required. Strong communication skills in English and the ability to work independently are also necessary. To apply, submit your complete online application by 22 January 2026, including a cover letter, CV, grade transcripts, diploma, and a statement of research interests, all in English as a single PDF file. Applications are assessed on an ongoing basis, and late submissions will not be considered. For further information, contact Professor Klaus Braagaard Møller at [email protected] or visit the DTU Chemistry website. This position is open to candidates of all backgrounds, and DTU is committed to diversity and inclusion. The university also conducts open-source background checks for research in critical technology. Join DTU and contribute to cutting-edge research in theoretical chemical dynamics, helping to address global challenges and advance scientific knowledge.