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Hendrik Weiske @hweiske6.bsky.social · 19/09/2025

I am super glad to announce! - Our first paper using machine learning for surface chemistry is out on arxiv! arxiv.org/abs/2509.14828 Thanks to all for the fantastic work! @rhyanbarrett.bsky.social , @jwestermayr.bsky.social l, @ralftonner.bsky.social al, and especially patrickmelix.bsky.social!

arxiv.org

Statistics makes a difference: Machine learning adsorption dynamics of functionalized cyclooctine on Si(001) at DFT accuracy

The interpretation of experiments on reactive semiconductor surfaces requires statistically significant sampling of molecular dynamics, but conventional ab initio methods are limited due to prohibitiv...

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