The clustering of small molecules is of considerable importance for computer-aided drug discovery and virtual screening applications.The structure of chemical data in appropriate subspaces of the chemical space is relevant to sample datasets in a representative manner, Hard Hat to generate small libraries with wide or narrow chemical coverage (depe
In the linear response eigenvalue problem arising from quantum chemistry and physics, one needs to compute several positive eigenvalues together with the corresponding eigenvectors.For such a task, in this paper, we present a FEAST algorithm based on Handlebar Quick Button Set-Speed Assembly complex contour integration for the linear response eigen
Advanced spectroscopy experiments and new physics experiments with positronium atoms in vacuum will benefit from positronium production in an environment GO DRY SHAMPOO free of magnetic and electrostatic fields.Here, we present a novel scheme for generating a bunched positron beam.The positron bunches are prebunched before extraction from a buffer-
Background and Objectives SARS-CoV-2 infection in children and young people (CYP) can lead to life threatening conditions including COVID-19, transmission to more vulnerable individuals, or even long COVID.Vaccination against COVID-19 reduces the chance of infection and transmission of the virus, but vaccine uptake in the UK has been shown to decre