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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Cite the Following Article
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
How to Cite
Järvi, J.; Rinke, P.; Todorović, M. Beilstein J. Nanotechnol. 2020, 11, 1577–1589. doi:10.3762/bjnano.11.140
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