During my fellowship, I'll be applying everything I've learned over the past 11 years to search for novel solar cell materials. I'm really looking forward to meeting all my new colleagues at #Canterbury and @macdiarmidinsti.bsky.social, and to contributing to #materialsscience innovation in 🇳🇿!
It's been over 11 years since I left NZ, which has simultaneously felt like an age and the blink of an eye. Many, many thanks to all my wonderful friends & colleagues (far too many to name here) from @cam.ac.uk 🇬🇧, EPFL 🇨🇭, and @psich.bsky.social 🇨🇭. Let me know if you fancy a holday/sabbatical in NZ 😉
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!
Many thanks to her examiners Hannes Jónsson @haskoliislands.bsky.social , Ismaila Dabo, and Sara Bonella @cecamevents.bsky.social, and her co-supervisor Nicola Marzari @materials-epfl.bsky.social
As further evidence of her success, in the new year Marija will start as a postdoc in the group of Karsten Reuter at FHI-Berlin @thdept-fhi-mpg.bsky.social
Many, many congratulations to Marija for all her hard work leading to this moment. Together, we have been working on applying Koopmans functionals to photocatalysis. You can find some of her work here arxiv.org/abs/2412.17488 (and more manuscripts are in the pipeline!)
Proud supervisor alert 🚨 My first PhD student, Marija Stojkovic, passed her PhD private defence! @materials-epfl.bsky.social
/usr/share/dict/words or /usr/dict/words — though I doubt crankymegafishstingray makes the cut...
Many thanks to organisers Iurii Timrov, @oregandavid.bsky.social , @jjbaldovi.bsky.social , and Young-Woo Son, and to Psi-k, MARVEL, @uv.es , and @icmoluv.bsky.social for sponsoring such an awesome event! 🙏
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.
I was shocked to discover that at a conference with only 1300 participants I'm one of only 3 people from Ocenia! I'm a proud representative, but NZ can do so much more!
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
Would be nice if it became standard after events for slides to be collated and made public (but we all know how much of a headache that would be 🐈🐈🐈🐈)
The programme is here indico.ictp.it/event/10815/... but AFAIK the only talk that was recorded was the Walter Kohn Prize lecture www.youtube.com/live/Iem5r_1...
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!
Congratulations to Marija for submitting her first paper! 🎉 Time for a well-earned break...
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
... and there is a nice summary on the MARVEL website nccr-marvel.ch/highlights/machine-learn...
Read here 👉 https://doi.org/10.1038/s41524-024-01484-3
🎁 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!
Nice work!
[FYI, @buffer.com can help make cross-posting less painful]
It was nice to be invited to give a talk about how Koopmans functionals can help solve some of these challenges, but there's lots more to be done!
It was nice to be invited to give a talk about how Koopmans functionals can help solve some of these challenges, but there's lots more to be done!
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/...