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Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

Identifying the atomic structure of organic–inorganic interfaces is challenging with current research tools. Interpreting the structure of complex molecular adsorbates from microscopy images can be difficult, and using atomistic simulations to find the most stable structures is limited to partial ex...

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Détails bibliographiques
Publié dans:Beilstein J Nanotechnol
Auteurs principaux: Järvi, Jari, Rinke, Patrick, Todorović, Milica
Format: Artigo
Langue:Inglês
Publié: Beilstein-Institut 2020
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7590619/
https://ncbi.nlm.nih.gov/pubmed/33134002
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.11.140
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