Prof. Arash Mostofi (chair of the Psi-k, Professor at Imperial and also a TCM alumnus at the Cavendish Laboratory) on the left and Dr Gunnar Felix Lange on the right receiving the award.

Dr Gunnar Felix Lange and Dr Bo Peng

👏 Congratulations to Dr Bo Peng & Dr Gunnar Felix Lange for winning the inaugural Psi-k CECI Award at #PsiK2025 in Lausanne! Their project on New concepts of topology from theory to modelling and applications won the award. 🏆 buff.ly/UIte0S6

Last week, Martin Kuban and Siamak Nakhaie welcomed participants at the #FAIRmat information booth during the Psi-k Conference.

It was rewarding to see the global community’s interest in #NOMAD – a free, open-source platform that makes RDM easier worldwide.

#RDM #NFDI #Psik2025 #EPFL

a group of minions are congratulating each other with the word congrats in the foreground ALT: a group of minions are congratulating each other with the word congrats in the foreground

👏 A big round of applause for Julian, Hyunwook, and Javier for receiving poster commendations at #Psik2025 last week!

With over 700 posters this year, it’s a great achievement and definitely well deserved. Great job, and keep it up! 🎉👏

#ResearchExcellence #Psik2025

What a week at #psik2025 with this wonderful group of people :)

Psi-k conference #psik2025 is the place to be this week!!

A picture of Venkat giving his talk

My UCL and Thomas Young Centre colleague Venkat Kapil giving his talk about using machine learning to describe quantum nuclear effects during the Volker Heine early career award symposium at #PsiK2025 #compchem

A selfie of Volker and team members in front of the conference venue on Wednesday evening

#PsiK2025 selfie! Super to see the community so active & so much exciting #compchem research going on. And of course delighted to be here with members of our group 🙂

error plots for the PET-MAD-DOS model on different datasets

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...!

Not your regular conference dinner! 🪩🕺💃
#psik2025 #Lausanne

Sean Kavanagh & Irea Mosquera-Lois giving their ECR award symposium team talk

Sean Kavanagh & Irea Mosquera-Lois giving their ECR award symposium team talk

Sean Kavanagh & Irea Mosquera-Lois giving their ECR award symposium team talk on the ShakeNBreak & Doped codes at #PsiK2025 #compchem

A pcture of Alex giving his talk

Alex Ganose showcasing automating high-throughput DFT calculations at #PsiK2025

And also Guillaume talking (very soon at 10:45) in Room 1 about all things metatensor and metatomic - making it easier to develop and use ML models for atomistic simulations 🔥 #psik2025

Students and staff from the HetSys CDT outside the Psi-k 2025 conference in Lausanne

Great to be at #Psik2025 in Lausanne along with a strong contingent from @hetsys.bsky.social. I am giving talk C1.09 at 17:45 today in Room 1 on fine tuning foundation MLIPs for applications in chemomechanics of structural materials- do come along if interested!

If you are at the #psik2025 and want to know more about the #metatensor ecosystem, don't miss @luthaf.bsky.social talk tomorrow morning 9:45 in room 1

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.

Change of scenery this week 🌄 — some of us are in beautiful Lausanne for the Psi-k conference. Great science, inspiring talks, and stunning surroundings.

Check out the program to see our talks and posters! www.psik2025.net/home

#psik2025 #EPFL #scienceontheroad

For the second time in 3 years my birthday has fallen during the Psi-K conference #psik2025 - awesome place to celebrate it actually! Great talks and great community - and a morning swim in Lac Leman

Park of the Olympic Museum

Lausanne is not a bad place to entertain a child during a conference: pedalos, open air swimming pool with an inflatable assault course on the lake, Olympic Museum... #PsiK2025

#psik2025

At #PsiK2025 today? Don’t miss Daniel’s talk “Towards time-dependent property predictions with deep equivariant neural networks” at 18:00 in Session B2a (Room C) - work with Tom Frömbgen, Barbara Kirchner & Martin Brehm!

#ML #CompChem #TheoretialChemistry
@dbitterlich.bsky.social

𝗔𝘁 𝗣𝘀𝗶-𝗸 𝗶𝗻 𝗟𝗮𝘂𝘀𝗮𝗻𝗻𝗲? 🌍

Meet Nestor & Nicolas (SCM) — our booth opens today 13:00!

Let’s talk materials challenges & how AMS with DFT, ReaxFF & ML can boost your R&D in batteries, OLEDs, semiconductors, catalysts & more.

📍 𝗕𝗼𝗼𝘁𝗵 𝗵𝗼𝘂𝗿𝘀:
𝗠𝗼𝗻 𝟭𝟯–𝟭𝟳𝗵 | 𝗧𝘂𝗲–𝗧𝗵𝘂 𝟭𝟬–𝟭𝟳𝗵
#psik2025 #compchemsky #matsky

Coach indicator on TGV to Lausanne

TGV to Lausanne along the platform at Paris's Gare de Lyon

View from the Eurostar

Family trip by train to Lausanne for #PsiK2025 #compchem

Or stop by poster B1.36 (Thu, Aug 28)!

#PsiK2025 #AI4Science

🎤 Preparing to give a talk is a crucial — and often underrated — skill in #science.

That’s why today we’re rehearsing our presentations for the Psi-k conference next week at @icepfl.bsky.social.

Practice makes progress! 🖥️

#ScienceCommunication #PsiK2025 #EPFL