Our aim is to develop a novel nanocluster database available to the scientific community and general public (including schools) for search, discovery and dissemination. WASP@N (Web Assisted Structure Prediction at the Nanoscale) is the name of this EPSRC funded five-year project (grant number EP/I03014X), in which we intend to link the web-interfaced database and new software (Bee) that has access to compute nodes dedicated to this project. The database, or Hive, is already available via the current version of the WASP@N interface (this website) for both users who would like to make a search as well as users who would like to upload their data (energy and atomic coordinates of nanoclusters that have been published in the form of coordinates or as a picture and therefore have an associated a DOI) for use by the community. A "lite" version of the WASP@N interface is freely available without the need to register and allows: a search through the entire database for a particular structural motif – in the form of an xyz file you need to supply; and provides access to a very small set of example nanoclusters (to aid those who are not familiar with what we mean when referring to nanoclusters). Note that clicking on any nanocluster thumbnail will activate a useful graphical interface where: the view of the nanocluster can be rotated; properties of the nanocluster are displayed; as well as a hyperlink to the original source of the data. Upon registering, a more comprehensive search form is made available. The Bee software – the working drone behind the Hive – is designed (or at least is still under development) to compute physical properties of the uploaded nanoclusters (e.g. symmetry, moments of inertia) as well as finding links between different nanoclusters based on connectivity ideas. Physical properties and any links found will be fed back into the Hive so that they can be exploited by the user via the WASP@N interface. Like most software, newer versions of the WASP@N interface are planned so that the effects of support and environment about the nanoclusters can be included.
For more details, and a hyperlink to the WASP interface of our database, please go-to http://www.ucl.ac.uk/klmc/Hive.