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

Jari Järvi, Patrick Rinke and Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589. https://doi.org/10.3762/bjnano.11.140

Supporting Information

Supporting information features camphor geometry in global minimum conformer search, convergence of the 6D surrogate model, and coordinates of camphor in the predicted and relaxed stable structures.

Supporting Information File 1: Camphor global minimum conformer, convergence of the 6D model, and coordinates of camphor.
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