💡Exciting innovation from the Laboratory of Photonic Materials and Fiber Devices! Prof. Fabien Sorin and his team have developed a innovative stretchable electronic fiber. Read more in Nature Electronics: www.nature.com/articles/s41...

Time to reach for the wallet. And maybe time for the PSF to consider relocating to a country that is not sliding into the dark ages, or at least not so quickly.

‪In this blog post, Filippo Bigi, Marcel Langer (@labcosmo.bsky.social‬) and @micheleceriotti.bsky.social write about the need to balance speed and physical laws when using ML for atomic-scale simulations aihub.org/2025/10/10/m...

A primer for non conservative (& rotationally unconstrained) MLIPs, and how to use them safely. Thanks @aihub.org for the space! aihub.org/2025/10/10/m...

🌍 EPFL’s Institute of Materials (IMX) is offering 6-month funded fellowships for external Master’s students in Materials Science. Join one of IMX’s world-class labs and gain hands-on research experience at the cutting edge of materials science. 👉 lnkd.in/enNeKmTh

Are you or do you know a smart, motivated Master student in a materials-adjacent area interested in doing a research project at EPFL? The @materials-epfl.bsky.social MX Fellowship applications open today sti.epfl.ch/smx/mx-fello.... Choose a lab, send your file, and spend up to six months at EPFL!

Looks like @ox.ac.uk forbids their researchers to do any kind of literature search, though it seems that thankfully they can still submit to the arxiv arxiv.org/abs/2510.00027 🤷

I have a new opening for several funded PHD positions in my group (the Computational Quantum Science Lab, at EPFL). If you are a talented, motivated student, please apply here www.epfl.ch/labs/cqsl/jo.... I am especially looking to hire in scientific ML applications/NQS; not in quantum computing.

Flying ITA and 🤞 I'll make it alive. Total shitshow. I think they'll end up bankrupt like all the Alitalia descendants have before them, hope after I land.

📝 We have been told (& been telling) that ML potentials are linked quite directly to the expansion of the atomic energy into pairs, triples, and so on. But is this actually true 🤔? Go read the latest from the 🧑‍🚀 team (w/QM help from Joonho's team at Harvard) to find out more arxiv.org/html/2509.14...

'this the season! 🍄

Anticipating 🧑‍🚀 Wei Bin's talk at #psik2025 (noon@roomA), 📢 a new #preprint using PET and the MAD dataset to train a universal #ml model for the density of states, giving band gaps for solids, clusters, surfaces and molecules with MAE ~200meV. Go to the talk, or check out arxiv.org/html/2508.17...!

📢 Now out on @physrevx.bsky.social energy, journals.aps.org/prxenergy/ab... from 🧑‍🚀 @dtisi.bsky.social and Hanna Türk, our #PET -powered study of the dynamic reconstruction of LPS surfaces, and how it affects their structure, stability and reactivity.

Really having a hard time not to miss out at #psik2025. Six parallel tracks, all filled to the brim with relevant talks makes me wish I also had parallel attendance ability.

We're introducing ShiftML3, a new ShiftML model for chemical shielding predictions in organic solids. * ShiftML3 predicts full chemical shielding tensors * DFT accuracy for 1H, 13C, and 15N * ASE integration * GPU integration Code: github.com/lab-cosmo/Sh... Install from Pypi: pip install shiftml

🚨 #machinelearning for #compchem goodies from our 🧑‍🚀 team incoming! After years of work it's time to share. Go check arxiv.org/abs/2508.15704 and/or metatensor.org to learn about #metatensor and #metatomic. What they are, what they do, why you should use them for all of your atomistic ML projects 🔍.

If you are excited about 30x longer time steps in molecular dynamics using FlashMD, but are worried about it not being symplectic, Filippo has something new cooking that should make you even more excited. Head to the #arxiv for a preview arxiv.org/html/2508.01...

Two new recipes landed in the #atomistic-cookbook 🧑‍🍳📖. One explaining how to fine-tune the #PET-MAD universal model on a system-specific dataset, one training a model with conservative fine tuning. Check them out on atomistic-cookbook.org/examples/pet... and atomistic-cookbook.org/examples/pet...

📢 Shout-out for `scwidgets`, a library of ipython widgets to make interactive pedagogic notebooks without all the boilerplate code. I started it for a "computational thinking" class at @materials-epfl.bsky.social. Thanks to many 🧑‍🚀, led by Alex Goscinski, it's now clean, documented and on pypi.

Very eloquent letter from a bunch of Swiss-based Field medalists science-under-threat.com Switzerland has been extremely generous in funding its researchers, and has reaped huge returns. Cutting because of a completely artificial deficit brake is entirely avoidable self-mutilation.

Very proud to send Filippo Bigi to Vancouver to give an oral presentation at @icmlconf.bsky.social about our investigation of the use of "dark-side forces" in atomistic simulations. The final version is here openreview.net/forum?id=OEl... and it's worth a read even if you already read the #preprint

German dance music should be forbidden outside of an Oktoberfest tent. And *maybe* stadiums. #strongopinions

🎉 DFT-accurate, with built-in uncertainty quantification, providing chemical shielding anisotropy - ShiftML3.0 has it all! Building on a successful @nccr-marvel.bsky.social-funded collaboration with LRM🧲⚛️, it just landed on the arXiv arxiv.org/html/2506.13... and on pypi pypi.org/project/shif...

#metatensor day about to start! Join us on zoom if you're not at #EPFL epfl.zoom.us/j/68368776745 @nccr-marvel.bsky.social

#HPC is the engine of #AI. AI would not exist without HPC! AI is the workload of HPC. AI is HPC!! Closing words of #ISC25 Program Chair Torsten Hoefler 🇨🇭 ETH Zürich and CSCS signing off the conference

CECAM is thrilled to announce that Prof. Giulia Galli (UChicago) has been awarded the 2025 Berni J. Alder CECAM prize, for her transformative contributions to computational molecular science in the domain of novel methods for large-scale electronic structure & molecular dynamics simulations

"Don't miss the next IMX talk: 📅 5 June 2025 at 9:30 🎙️ Prof. Robert Carpick, University of Pennsylvania 🔎 Seeing the Hidden Interface: Revealing Nanoscale Mechanisms of Contact, Adhesion, and Wear by in situ Experiments Find out more: memento.epfl.ch/event/imx-ta...

📢 Running molecular dynamics with time steps up to 64fs for any atomistic system, from Al(110) to Ala2? Thanks to 🧑‍🚀 Filippo Bigi and Sanggyu Chong, with some help from Agustinus Kristiadis, this is not as crazy as it sounds. Let us briefly introduce FlashMD⚡ arxiv.org/html/2505.19...

Science just broke @overleaf.com #keepinvestigating

This is the way. @erc.europa.eu erc.europa.eu/news-events/...

The PET-MAD universal forcefield mingled with the dark side, and got twice as fast 🚀. Read on, or head to the 🧑‍🍳📖 atomistic-cookbook.org/examples/pet..., if you are curious of what this is all about. #atomistic-cookbook #compchem #machinelearning #mlip🧵

📢 For those who missed the #preprint, torch-pme is now published in @aip.bsky.social #JChemPhys. #compchem classics like Ewald and P3M meet #machine learning. Read all about it here pubs.aip.org/aip/jcp/arti...

Feeling a bit silly today so I'm switching all the default searches on my devices to swisscows.com 🇨🇭 autarky FTW 🖕 google

Great initiative, maybe the @snf-fns-ch.bsky.social can think of something similar!

I rarely have been more excited about one of our papers. Come join the PET-MADness, to get better #ML potentials with less data 📈!

The paper describing our community effort to collect and organize #plumed tutorials has been published in the Journal of Chemical Physics, as part of the Michele Parrinello Festschrift! doi.org/10.1063/5.02...

Guess I'll have to bring my mastodon account back from the dead actu.epfl.ch/news/the-epf...

Why did pages supporting DEI need to be "under review" in the first place? @asm.org is not a government organization. It is not subject to the Executive Orders, which call for the systematic erasure of many ASM members. This is a pathetic, cowardly excuse for voluntarily complying with fascism.

📢 Highlighted on #PhysRevMaterials (not yet on 🦋), a little, insightful gem by 🧑‍🚀 Wei Bin, Raymond, Fede & Kevin, relevant for all of you #machinelearning electronic structure properties. Band alignment matters, but it shouldn't, so here's how to deal with it with a self-aligning loss! A short 🧵...

Very happy to announce that github.com/lab-cosmo/sp... has reached the 1.0 release milestone. Most notably, you can now `pip install sphericart[torch,jax]` and get it installed without compilation, complete with CUDA support where available. Spherical (& solid) harmonics made fast and easy!

Looks like @aip-publishing.bsky.social has also been around here almost completely incognito for a month! Welcome, looking forward to seeing #JCP here!

Hello, #SciSky! We're AIP Publishing, top advocates of the physical sciences. Excited to share knowledge, connect with experts, and grow with this incredible community. We're just getting started so stay tuned as we settle in -- can't wait to connect & drive new ways forward! #PhysicsSky

Grappa is out: pubs.rsc.org/en/content/a... We are looking forward to feedback from and extensions by the community! Try it out for your favorite (bio)molecules - ligands, post-translational modifications, metal-enzymes, DNA, ...

I'm so glad that now I can receive a call every time I need to use my uni's 2FA (that is, roughly 30 times a day). Now they can change the settings so it'll ask me 60 times a day! newsletter.epfl.ch/en/newslette...

Considering I've taken this from my balcony, with a street lamp in front of the house, and holding the phone in my hand in front of the objective, I'm not too unhappy!

Happy new year everyone! After more than three years of work, and splitting out a whole separate package, I am extremely happy to announce the first full public release of featomic, a package to compute representations for atomistic machine learning! github.com/metatensor/f... 1/n

Clearing up my teenage room. 3.5" games nostalgia, a pile of now unreadable crap, an original windows 95 cd, and lots of questions about why they used to put stock images of folks on dvd burning software disks.

Looks like we're headed into a white xmas. At least up the hill where I live, EPFL is already in the mushy zone.

Very proud of our homemade xmas lighting. Living dangerously: #DIY theoretician = #firehazard

Last 🧑‍🚀 #preprint of the year hits the #arxiv, and its a 💎. Best title of the year for sure, & content is pretty good too. Ever wondered if it's a good idea to give up conservative forces and learn them directly, for a ~3x speedup? Answer is *NO, but*. Read it here arxiv.org/html/2412.11..., or 👀🧵