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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