The paper is now officially published in JCP! @aip.bsky.social Check it out at: doi.org/10.1063/5.03...

Very proud of this work and happy that it's accepted! Do you want train MLIPs for charged explicit metal-water interfaces? Then look out for the dielectric breakdown that occurs when training structures are computed at "wrong" charged conditions!

👏Congrats to @zausibergmann.bsky.social and Nico, whose paper "Erasing dielectric breakdown artifacts to machine-learn charged Pt-water interfaces" made it into the Journal of Chemical Physics @aip-publishing.bsky.social! 👏 Preprint: chemrxiv.org/doi/full/10.... Digest: 👇

Democrats need to stop complicating something that is actually pretty simple — and loudly, boldly oppose a dumb and dangerous man launching a dumb and dangerous war for no good reason. www.messageboxnews.com/p/trumps-dum...

Our new paper is out! We look into including double layer effects in MLIPs, which enables modeling metal interfaces under applied potential. Thank you for the great collaboration with THEOS lab at @materials-epfl.bsky.social! journals.aps.org/prl/abstract... @thdept-fhi-mpg.bsky.social

👏 Congrats to Felix, @zausibergmann.bsky.social, and Hendrik, whose paper "Out of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)" made it into Advanced Science! 🔗Link to preprint on #chemrxiv: chemrxiv.org/engage/chemr... 📝Paper digest 👇 #compchem #machinelearning