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.