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.

Absolute pleasure to be back in Lausanne for Psi-k to give an invited talk — even if Nicola Marzari and Leeor Kronik stole a lot of my thunder with (excellent) plenary talks! If you're at Psi-k come along to Room 4 at 10:15 to find out more about our work on Koopmans functionals.

I'm currently working on two applications, writing one in @typst.app while for the other I have to use a #LaTeX template. It's really highlighting the advantages of @typst.app (instant preview 🔍, clean syntax, no more blackslashes!) — and makes their absence in #LaTeX sooooo much more painful!

📣 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

Kicking off the new year with a bang at the #ICTP Total Energy and Force Methods in Trieste 🎆 Lots of excellent talks and thought-provoking discussions, but it's a bit of shock to the system straight after the holidays!

Snuck in under the wire! Marija Stojkovic shows how to take advantage of a quirk of Koopmans functionals — that they correct eigenvalues while leaving total energies unchanged — to perform cheap but accurate band alignment #EPFL @psich.bsky.social https://arxiv.org/abs/2412.17488

🎁 Christmas has come early: new paper out & #openaccess in npj Computational Materials! We show how to predict electronic screening — dramatically lowering the barrier of using Koopmans functionals for disordered materials. Lots of exciting science now on the horizon!

A pleasure to be back in Lausanne at #CECAM for the workshop "Beyond ground state simulations: Navigating challenges in excited states of extended molecules and materials". After three days of talks and discussions it's fair to say that challenges abound!

A pleasure to be back in Lausanne at #CECAM for the workshop "Beyond ground state simulations: Navigating challenges in excited states of extended molecules and materials". After three days of talks and discussions it's fair to say that challenges abound!

Delighted to see this work led by Andrew Burgess out in #PhysRevLett -- and explained by a lovely write-up 🎉 www.tcd.ie/news_events/...

Delighted to see this work led by Andrew Burgess out in #PhysRevLett -- and explained by a lovely write-up 🎉 www.tcd.ie/news_events/...

Out today on #arXiv: some excellent work from Yannick Schubert showing that we can learn electronic screening for Koopmans very efficiently: minimal training required 🏋️, acceptable loss of accuracy relative to ab initio 🔍, and plenty of speed-up 🚀! See arxiv.org/abs/2406.15205

This week I attended the #EuSpecLab school on advanced spectroscopy at #PSI. After a week of wide-ranging lectures, this morning we were shown around PSI's phenomenal experimental facilities -- the first time I have seen them since starting here last November.

Happening shortly!

Happening shortly!

I'm in Berlin this week at #DPG!