Our permissibly licensed implementation can be included within both free and open-source, academically licensed closed-source, and commercial software packages. In the study, we present examples of interfaces to three different codes, and we bid future interfaces and extensions most welcome.

To that end, our implementation guarantees robust convergence onto a local minimum in both SCF calculations and other types of applications, and we demonstrate the difference in speed to conventional methods to be negligible, even for relatively simple systems.

Fra den lokale pusher sidste weekend.

This was Køge, Denmark in November 2021. There were like at most a few hundreds of us in the stands and it was absolutely freezing. Good times were had by all, but those were hard times. Today, Arsenal Women are champions of Europe. 🥳

I never got around to post a celebratory picture from last month's second PhD viva. Frederik (centre) defended his thesis on 17 December with flying colours. Thanks to opponents, Matthias Rupp, Thomas Bligaard & @janhjensen.bsky.social, as well as co-supervisor, Sonia Coriani (not in the frame).

Doktorvater at last! Luna (centre) defended her thesis today as the first PhD from my group at DTU. Next one (Frederik) to defend his next week. Thanks to international opponents, Titou Loos & Sarai Folkestad, local opponent, @foeroyingur.bsky.social, and co-supervisor, Sonia Coriani.