Large-Scale Theoretical Spectroscopy
About us
We are a junior group at TU Dresden hosted at the Chair of Theoretical Chemistry. Read more.
Emmy-Noether program
The junior group is mainly funded by the Emmy-Noether of the German Research Foundation. Read more.
News
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…
PhD position available
We are looking for a PhD student, who is interested in code development and application of the developed methods to next-generation quantum materials. The application deadline is February 03, 2023. More information on the position and instructions how to apply can be found https://psi-k.net/jobs/2-phd-positions-at-tu-dresden-in-application-and-d.