Désirée Baumann

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The development of photonic nano-structures can strongly benefit from full-field electromagnetic (EM) simulations. To this end, geometrical flexibility and accurate material modelling are crucial requirements set on the simulation method. This paper introduces a modular implementation of dispersive materials for time-domain EM simulations with focus on the(More)
BACKGROUND Generally, QSAR modelling requires both model selection and validation since there is no a priori knowledge about the optimal QSAR model. Prediction errors (PE) are frequently used to select and to assess the models under study. Reliable estimation of prediction errors is challenging - especially under model uncertainty - and requires independent(More)
In most cases of QSAR modelling the final model used to make predictions, is not known a priori but has to be selected in a data driven fashion (e.g. selection of principal components, variable selection, selection of the best mathematical modelling technique). Reliable estimation of externally validated prediction errors under this model uncertainty is(More)
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