Development of optoelectronic technologies based on quantum dots depends on measuring, optimizing, and ultimately predicting charge carrier dynamics in the nanocrystal. In such systems, size inhomogeneity and the photoexcited population distribution among various excitonic states have distinct effects on electron and hole relaxation, which are difficult to distinguish spectroscopically. Two-dim...

As computational resources increase, molecular dynamics simulations of biomolecules are becoming an increasingly informative complement to experimental studies. In particular, it has now become feasible to use multiple initial molecular configurations to generate an ensemble of replicate production-run simulations that allows for more complete characterization of rare events such as ligand-rece...

An intensely fluorescent zinc-salicylideneimine complex (-Zn(II)) was developed as a fluorescent ratiometric detector for the quantitative determination of trace water contents both in THF and methanol. It works based on a water-triggered cascade process: the dissociation reaction of the supramolecular ensemble and the subsequent hydrolysis reaction of its ligand.

in this paper, first, an initial feature vector for vocal fold pathology diagnosis is proposed. then, for optimizing the initial feature vector, a genetic algorithm is proposed. some experiments are carried out for evaluating and comparing the classification accuracies which are obtained by the use of the different classifiers (ensemble of decision tree, discriminant analysis and k-nearest neig...

This paper considers small-area estimation with proportion data, and discusses the choice of upper-level model for the variation over areas. Inference about the random effects for the areas may depend strongly on the choice of this model, but this choice is not a straightforward matter. We show that posterior distributions of the deviances for the competing models provide a valuable tool for th...

This work reports the results of four ensemble approaches with the M5 model tree as the base regression model to anticipate Sodium Adsorption Ratio (SAR). Ensemble methods that combine the output of multiple regression models have been found to be more accurate than any of the individual models making up the ensemble. In this study additive boosting, bagging, rotation forest and random subspace...

Inspired by the current representation of the ligand-receptor binding process, a normal-mode-based methodology is presented to incorporate receptor flexibility in ligand docking and virtual screening. However, the systematic representation of the deformation space grows geometrically with the number of modes, and furthermore, midscale loop rearrangements like those found in protein kinase bindi...