Just out in #JCTC: "koopmans: An Open-Source Package for Accurately and Efficiently Predicting Spectral Properties with Koopmans Functionals". This tome describes everything you need to know about Koopmans functionals, and accompanies the v1.0 release of the koopmans code.

During my fellowship, I'll apply 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 @UCNZ and the #MacDiarmidInstutite, and to contributing to #materialsscience innovation in 🇳🇿!

It's been over 11 years since I left NZ Many, many thanks to all my wonderful friends & colleagues (far too many to name here) from @Cambridge_Uni 🇬🇧, @EPFL_en 🇨🇭, and @psich_en🇨🇭. Let me know if you fancy a 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 @UCNZ !

@EPFL_en @fhi_mpg_de Many thanks to her examiners Hannes Jónsson @uni_iceland , Ismaila Dabo @cmu_africa, and @BonellaSara, and her co-supervisor Nicola Marzari @EPFL_en

@EPFL_en As further evidence of her success, in the new year Marija will start as a postdoc in the group of Karsten Reuter at @fhi_mpg_de

@EPFL_en 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 https://t.co/4JZW362NAI (and more manuscripts are in the pipeline!)

Proud supervisor alert 🚨 My first PhD student, Marija Stojkovic, passed her PhD private defence! @EPFL_en

Many thanks to organisers Iurii Timrov, @OReganGroupTCD , @jjbaldovi , Young-Woo Son, and to @Psik_Network , @nccr_marvel , @UV_EG , and @ICMol_UV 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.

@Psik_Network

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.

Really looking forward to this!

The #MARVEL Review and Retreat has started today in Grindlewald with sessions on "Design and Discovery of Novel Materials" and "Machine Learning for Molecules and Materials". An important step towards the final year of the project👉 https://t.co/JaVmf5NZ3s

Kicking off the new year with a bang at the @ictpnews 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!

@Materials_EPFL @psich_en 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 @Materials_EPFL @psich_en https://t.co/4JZW362NAI

MARVEL scientists at @psich_en @EPFL_en and @UZH_en have used machine learning to speed up the calculation of spectral properties of materials. Their study is out in npj Computational Materials 👉 https://t.co/rH8kgoiqrj

@Nature_NPJ ... and there is a nice summary on the @nccr_marvel website