Nicolas Bergmann
LightNews LightNews
zausibergmann.bsky.social
Nicolas Bergmann
@zausibergmann.bsky.social
24 followers 57 following 5 posts
Posts Replies Media Videos
zausibergmann.bsky.social
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
Machine Learning the Energetics of Electrified Solid-Liquid Interfaces
A framework rooted in perturbation theory extends machine-learning interatomic potential approaches, capturing complex dynamics and energetics at electrified solid-liquid interfaces.
journals.aps.org
October 1, 2025 at 8:31 AM
Reposted by Nicolas Bergmann
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
Out 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…
chemrxiv.org
September 29, 2025 at 1:20 PM