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.


Introducing CD-WAC: core-level GW calculations just got faster

We are pleased to announce the publication of our recent paper, “Accelerating core-level GW calculations by combining the contour deformation approach with the analytic continuation of W”. This novel work introduces the CD-WAC method, combining contour deformation (CD) with an analytic continuation of the screened Coulomb interaction W, effectively reducing the scaling of CD from…

Participation at the Helmholtz GPU Hackathon

Our entire group, recently participated in the Helmholtz GPU Hackathon held at Forschungszentrum Jülich. Our main objective was to offload the demanding computational tasks performed by the Resolution of Identity (RI) routines in FHIaims to GPUs using CUDA. We not only succeeded in implementing GPU support within the RI routines, but we also had an…