Bending dynamics and directionality reversal in liquid crystal network photoactuators

C.L. Oosten, van, D. Corbett, D. Davies, M. Warner, C.W.M. Bastiaansen, D.J. Broer

    Research output: Contribution to journalArticleAcademicpeer-review

    143 Citations (Scopus)
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    Abstract

    We show how Bayesian statistics and density-functional theory can be combined to compute reliable values for the interactions in a cluster expansion for adsorbates on a surface. The method is an alternative to the leave-one-out cross-validation method. We show that it easily selects which interactions can be determined even if the total number of possible interactions is very large. We have applied the method to NO/Rh(111) based on the interactions we have determined for this system we have predicted some structures, which have been confirmed by scanning-tunneling microscopy.
    Original languageEnglish
    Pages (from-to)8592-8596
    Number of pages5
    JournalMacromolecules
    Volume41
    Issue number22
    DOIs
    Publication statusPublished - 2008

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