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Computational Spectroscopy




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Our group in a nutshell

The Computational Spectroscopy Group at the University of Groningen develops and applies cutting-edge methods to understand and predict molecular spectra. Our workflow combines Molecular Dynamics with Quantum–Classical Theory, enabling us to simulate realistic molecular motions while capturing the essential quantum effects that shape vibrational, rotational, and electronic spectra. By integrating theory, computation, and collaboration with experimental partners, we bridge the gap between molecular-scale dynamics and time-resolved spectroscopy for applications ranging from photosynthesis and protein dynamics to materials science.



We organised the CMDSOnline webinars on multi-dimensional coherent spectroscopy!

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