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Edward Linscott

@elinscott.github.io
36 followers 66 following 41 posts

Postdoc @psich.bsky.social 🇨🇭 | computational materials science 🖥️ ⚛️ | Koopmans functionals 🚀 | 🇳🇿er on the wrong side of the world (for now...) | elinscott.github.io 🌐

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Edward Linscott @elinscott.github.io · 21/07/2026
New preprint out overnight! 🎉 We show that DFT+U+V is — to first order in V/U — DFT+U acting on hybridized, density-dependent (!) projectors: +V doesn't add new physics so much as change where the +U correction is applied 🥸 with Alberto Carta and Nicola Marzari arxiv.org/abs/2607.18071
Grid of NiO orbital isosurfaces: three columns show the original atomic d orbitals, the block-diagonalizing orbitals, and the hybridized Hubbard projectors, which acquire small lobes on the six neighboring oxygen atoms. Two larger panels show the density difference, highlighting antibonding character on the new projectors.
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Edward Linscott @elinscott.github.io · 12/06/2026
What a fortnight! Today marks the end of the ICTP-MARVEL College on Materials Simulation in the Age of AI. Over the past two weeks, 200+ participants from 50+ countries were treated to...
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Edward Linscott @elinscott.github.io · 17/11/2025
Proud supervisor alert 🚨 My first PhD student, Marija Stojkovic, passed her PhD private defence! @materials-epfl.bsky.social
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Edward Linscott @elinscott.github.io · 29/09/2025
I have returned to Switzerland with a lot of new ideas (but also some resentment re: Swiss vs Spanish weather!)
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Edward Linscott @elinscott.github.io · 29/09/2025
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.
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Edward Linscott @elinscott.github.io · 27/08/2025
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.
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Edward Linscott @elinscott.github.io · 09/01/2025
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!
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Edward Linscott @elinscott.github.io · 20/12/2024
🎁 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!
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Edward Linscott @elinscott.github.io · 07/11/2024
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!
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Edward Linscott @elinscott.github.io · 07/11/2024
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!
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Edward Linscott @elinscott.github.io · 25/06/2024
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
Figure showing the mean absolute error in the band gap of water and a halide perovskite as a function of the number of snapshots used to train a ML model
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Edward Linscott @elinscott.github.io · 19/04/2024
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.
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Edward Linscott @elinscott.github.io · 20/03/2024
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...
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Edward Linscott @elinscott.github.io · 20/03/2024
I'm in Berlin this week at #DPG!
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