GreenX Library’s new milestone: Efficient grids for RPA and GW calculations
We are delighted to announce the publication of our recent paper, “Time-frequency component of the GreenX library: minimax grids for efficient RPA and GW calculations”. This groundbreaking research introduces the GX-TimeFrequency component, originating from the NOMAD Center of Excellence. Our work showcases the robustness of minimax time and frequency grids, tailored specifically for Green’s function-based…
Welcome Jannis!
Jannis joined our group as PhD student.
Our CD-WAC paper has been published in JCTC
Check out our latest publication https://pubs.acs.org/doi/10.1021/acs.jctc.3c00555
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…