DTU Kemi - Femtokemi

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DTU Kemi - Femtokemi

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Theoretical, Computational and Femtochemistry

The research activities in the group are within the field of theoretical chemistry, typically, based on a detailed quantum mechanical description of molecular structure and reactivity. Electronic states in molecular systems are studied using extensive computer calculations, nuclear states and their dynamics are described with analytical theory and computer calculations, using methods based on quantum, semi-classical, and statistical mechanics.

A multitude of molecular properties and phenomena are calculated and studied, for example; equilibrium geometries, spectroscopy, potential energy surfaces, reaction rate constants, nuclear quantum dynamics, time-resolved (femtosecond-) spectroscopy and X-ray scattering, and application of lasers to the control of molecular dynamics. In femtochemistry the fundamental idea is to detect, i.e., “film” and control atomic motion as it takes place during chemical reactions on the femtosecond timescale. There is often a close interplay with modern experiments which take place around the world, for example, at the new large international free-electron X-ray lasers in Japan and USA.

A ticket to the Molecular Movies

Contact

Klaus Braagaard Møller
Professor
DTU Chemistry
+45 45 25 24 61

Contact

Niels Engholm Henriksen
Associate Professor
DTU Chemistry
+45 45 25 20 29

Contact

Irene Shim
Associate Professor
DTU Chemistry
+45 45 25 54 32

Contact

Sonia Coriani
Professor
DTU Chemistry
+45 45 25 23 35