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Large-Scale Theoretical Spectroscopy

About us

We are a junior group at TU Dresden hosted at the Chair of Theoretical Chemistry. Read more.

Codes we contribute to

Our group contributes to the development of FHI-aims and CP2K. Read more.

Emmy-Noether program

The junior group is mainly funded by the Emmy-Noether of the German Research Foundation. Read more.


News


ML predictions of core-level binding energies of carbon-based materials

Check out our latest work on machine learning models for computational predictions of core-electron binding energies of carbon-based materials: Accurate computational prediction of core-electron binding energies in carbon-based materials: A machine-learning model combining DFT and GW (arXiv:2112.06551)

Welcome Ekin!

After a long time working remotely, Ekin finally comes to the office today, welcome!