Reposted by Rhyan Barrett
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...
