Klaus Braagaard Møller


Klaus Braagaard Møller

Department of Chemistry

Kemi: Faculty

Kemitorvet 207

Building 206 Room 231

2800 Kgs. Lyngby




Klaus Braagaard Møller


Theoretical Chemistry Computational Chemistry Chemical Dynamics

My field of research is theoretical and computational physical chemistry with emphasis on chemical dynamics. Research topics include quantum theory, semi-classical mechanics, reaction dynamics and ultrafast time-resolved experimental techniques; with applications to photochemistry, (photo-)catalysis, and solar cells. Computational techniques include electronic-structure and wave-packet quantum calculations, semi-classical methods, and Molecular Dynamics simulations; using own codes, freeware, and commercial program suites.  Collaborators are both theoretical and experimental groups at DTU Chemistry and Physics, University of Copenhagen, and in France, Germany, South Korea, Spain, Sweden, and USA.