Klaus Braagaard Moller

Klaus Braagaard Moller is a Professor at the Department of Chemistry, Technical University of Denmark (DTU Chemistry). His research focuses on theoretical and computational physical chemistry, particularly chemical dynamics involving quantum theory, semi-classical mechanics, reaction dynamics, and ultrafast experimental techniques. He collaborates with groups at DTU Chemistry, DTU Physics, the University of Copenhagen, and international institutions in France, Spain, Germany, South Korea, and the USA.

Education:

• Ph.D. in Chemistry (1994-1997), Technical University of Denmark
• M.Sc. in Chemistry (1988-1993), Technical University of Denmark

His research explores the quantum-classical boundary, ultrafast processes in photochemistry, and computational methods like ab initio calculations, molecular dynamics simulations, and semi-classical trajectory methods. Recent highlights include time-resolved x-ray imaging of chemical bond formation and unraveling internal conversion dynamics in molecular systems.

He employs proprietary codes and commercial software for simulations, emphasizing applications in solar cells and photocatalysis. His group is part of DTU Chemistry's Theoretical, Computational and Femtochemistry research area and welcomes collaborations and new members.