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My research concerns the theoretical (quantum mechanical) description of molecules; the goal is to predict and explain experimental observations in chemistry. We focus, in particular, on the femtosecond dynamics of molecules in space and time. This includes new methods for predicting, detecting ("filming"), and controlling ("instructing") the course of chemical reactions on atomic length and time scales. Thus, we deal with the microscopic foundation of chemical kinetics with applications across chemistry.
The methods span analytical and computational results based on quantum, semi-classical, and statistical mechanics. Based on potential energy surfaces obtained from quantum-chemical calculations, the dynamics are described by the time-dependent Schrödinger equation. Beyond traditional temperature control, interaction with ultrashort laser pulses is studied with the aim of controlling the making and breaking of chemical bonds. This research makes extensive use of high-performance computing. Projects are frequently carried out in collaboration with experimental groups.

Other information

Carlsberg Foundation "J.C. Jacobsen" fellowship, 1987. Gold medal in chemistry, University of Copenhagen, 1990. Statoil Prize, 1996. Founding member of the Danish National Research Foundations "Center for Molecular Movies", 2005. Elected member of the Academic Council, Technical University of Denmark, (2005-2015). Appointed to the research council FNU, i.e., the Danish Council for Independent Research|Natural Sciences (2011-2016).



International Experience:

Max Planck Institute, Göttingen (1986). University of Washington, Seattle, Washington (1987-1988). California Institute of Technology (2000).

Research areas

Key qualifications: Theoretical chemistry. Physical chemistry at the atomic level.

Education/Academic qualification

Dr.scient. (D.Sc., Doctor of Science), University of Copenhagen

1994 → …

Ph.D. in chemical physics., Technical University of Denmark

1987 → …

M.Sc. in chemistry., Technical University of Denmark

1983 → …

External positions

Associate professor, Technical University of Denmark

1995 → …

Assistant professor, Technical University of Denmark

19911995

Senior research scholar, University of Copenhagen

19881991

Postdoctoral research associate, University of Washington, Seattle, Washington, USA

19871988

Keywords

  • User defined:
  • Physical chemistry at the atomic level
  • Theoretical chemistry
  • Development of theoretical models

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