Postdoc @psich_en | ex-@Cambridge_Uni and @epfl_en | computational materials science | Koopmans functionals | New Zealander on the wrong side of the world
Villigen, Schweiz
Joined August 2019
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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.
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 😉
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 🇳🇿!
Proud supervisor alert 🚨 My first PhD student, Marija Stojkovic, passed her PhD private defence! @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
Many thanks to her examiners Hannes Jónsson @uni_iceland , Ismaila Dabo @cmu_africa, and @BonellaSara, and her co-supervisor Nicola Marzari @EPFL_en
I have returned to Switzerland with a lot of new ideas (but also some resentment re: Swiss vs Spanish weather!)
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 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!
Really looking forward to this!
📣 We are excited to announce the Workshop 'The determination of Hubbard parameters: progress, pitfalls, and prospects'. Registration is opened until 30/04!! 👩💻👨🏾💻
Where? 📌 Gandía Beach, Valencia, Spain 🥘🌴
When? 🗓️ 22-26th September, 2025
More info: 🔗 rb.gy/u7dehb
Supported by @Psik_Network, @nccr_marvel & @UV_EG, we will gather leading experts in the field and discuss cutting-edge advancements in a relaxed and inspiring atmosphere. Don't miss this fantastic opportunity! Thanks to my colleagues Iurii Timrov, David O'Regan and Young-Woo Son for making it possible!
#CondensedMatter #HubbardU #FirstPrinciples #DFT #Physics
Edward Linscott retweeted
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👉 nccr-marvel.ch/events/marvel…
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!
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
arxiv.org/abs/2412.17488
Edward Linscott retweeted
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 👉 nccr-marvel.ch/highlights/ma…
🎁 Christmas has come early: new paper out & #openaccess in @Nature_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!
... and there is a nice summary on the @nccr_marvel website nccr-marvel.ch/highlights/ma…