Nicolas Bergmann @zausibergmann.bsky.social · 19/07/2026This happened. Very grateful to Nico, Karsten, everyone at the FHI, and everyone else who was with me during this journey. Looking forward to what the future will bring! 010
Nicolas Bergmann @zausibergmann.bsky.social · 05/05/2026The paper is now officially published in JCP! @aip.bsky.social Check it out at: doi.org/10.1063/5.03...doi.orgErasing dielectric breakdown artifacts to machine-learn charged Pt–water interfacesThe recently introduced “response analysis in z-orientation” (RAZOR) model utilizes perturbation theory to machine learn the energy and force response to applie 000
Nicolas Bergmann @zausibergmann.bsky.social · 13/04/2026Very 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! 110
Reposted by Nicolas BergmannTheory Department - FHI der MPG @thdept-fhi-mpg.bsky.social · 13/04/2026👏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: 👇chemrxiv.orgErasing dielectric breakdown artifacts to machine-learn charged Pt-water interfaces | ChemRxivThe recently introduced "Response analysis in z-orientation" (RAZOR) model utilizes perturbation theory to machine learn the energy and force response to applied bias charges in atomistic simulations of electrified interfaces. While we have shown that ... 241
Reposted by Nicolas BergmannDan Pfeiffer @danpfeiffer.bsky.social · 28/02/2026Democrats 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...messageboxnews.comTrump's Dumb War Is a Test Democrats Must Not FailTrump has launched an illegal, unjustified war with Iran. Democrats must oppose it — loudly and without apology. 218234
Nicolas Bergmann @zausibergmann.bsky.social · 01/10/2025Our 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.socialjournals.aps.orgMachine Learning the Energetics of Electrified Solid-Liquid InterfacesA framework rooted in perturbation theory extends machine-learning interatomic potential approaches, capturing complex dynamics and energetics at electrified solid-liquid interfaces. 030
Reposted by Nicolas BergmannTheory Department - FHI der MPG @thdept-fhi-mpg.bsky.social · 29/09/2025👏 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 #machinelearningchemrxiv.orgOut of the Crystalline Comfort Zone: Sampling the Initial Oxide Formation at Cu(111)Oxidizing transition metal surfaces are generally characterized by an increasing heterogeneity at simultaneous lowering of crystalline order. This complexity eludes present-day first-principles… 141
