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Center for Free-Electron Laser Science (CFEL)
Deutsches Elektronen-Synchrotron DESY
Notkestrasse 85 (building 49a, room 203)
We develop novel theoretical models and computational tools for investigation of electronic and nuclear quantum dynamics of molecules, that is based around the software packages TROVE, RichMol and LibTROVE. We aim to develop a general purpose methods that are highly accurate and therefore quantitatively predictive and at the same time scalable to large complex systems. Current applications of interest address the nuclear spin hyperfine effects, hydrogen bond charge transfer, laser field aided control of molecular motions, short lived and dynamically induced chirality.