Proud supervisor alert 🚨 My first PhD student, Marija Stojkovic, passed her PhD private defence! @materials-epfl.bsky.social

I have returned to Switzerland with a lot of new ideas (but also some resentment re: Swiss vs Spanish weather!)

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.

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!

🎁 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!

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.

On Thursday (10:30, MA 043) I'll be giving a talk about our latest work trying to make Koopmans functional calculations robust and black-box using new tools such as automated Wannierisation. Come along to find out more! www.dpg-verhandlungen.de/year/2024/co...

I'm in Berlin this week at #DPG!