Kota Hanasaki, Sandra Luber: Development of ab initio Hubbard parameter calculation schemes in the k-point sampling real-time TDDFT program in CP2K https://arxiv.org/abs/2604.06927 https://arxiv.org/pdf/2604.06927 https://arxiv.org/html/2604.06927

New highlight: Classical solution of the FeMo-cofactor model to chemical accuracy and its implications www.compchemhighlights.org/2026/02/clas... #compchem

Delighted to announce that I've been awarded a #Marsden Fast-Start grant and will be moving back to New Zealand 🇳🇿 to start a position in my hometown at the University of Canterbury!

Check out my 'News & Views' on this exciting work, now out by invitation in Nature Chemistry @natchem.nature.com and available to read at rdcu.be/eJitR and www.nature.com/articles/s41...

Manchán Magan 1970 - 2025 💔

Craoltóir, scríbhneoir agus Gael. Ní bheidh a leithéid arís ann.

Thar na blianta, chruthaigh sé & chuir sé i láthair an t-uafás cláracha do TnaG & TG4. Tá oidhreacht shaibhir fágtha aige dúinn a thabharfaidh inspioráid don chéad ghlúin eile 🕯️
🔗 www.tg4.ie

I've just spent a week in #Gandia at a workshop on determining #Hubbard parameters. It was so nice to have so many people passionately engaging in this admittedly niche but important topic that increasingly underpins a lot of modern materials design and discovery.

Congratulations Seán. That's great news and richly deserved. All the very best for your new adventure.

📣 Workshop reminder for 'The determination of Hubbard parameters: progress, pitfalls, and prospects'.

Gandía Beach, Valencia, Spain ☀️
22-26 Sept 2025.
Sponsored by Psi-k & NCCR MARVEL.
Register by 30 April.

For more: sites.google.com/view/hubbard-workshop-2025

#DFT+U #CondensedMatter #compchem