2 resultados para ligand-based virtual screening
em Greenwich Academic Literature Archive - UK
Resumo:
Virtual manufacturing and design assessment increasingly involve the simulation of interacting phenomena, sic. multi-physics, an activity which is very computationally intensive. This chapter describes an attempt to address the parallel issues associated with a multi-physics simulation approach based upon a range of compatible procedures operating on one mesh using a single database - the distinct physics solvers can operate separately or coupled on sub-domains of the whole geometric space. Moreover, the finite volume unstructured mesh solvers use different discretization schemes (and, particularly, different ‘nodal’ locations and control volumes). A two-level approach to the parallelization of this simulation software is described: the code is restructured into parallel form on the basis of the mesh partitioning alone, that is, without regard to the physics. However, at run time, the mesh is partitioned to achieve a load balance, by considering the load per node/element across the whole domain. The latter of course is determined by the problem specific physics at a particular location.
Resumo:
This article describes ongoing research on developing a portal framework based on the OASIS Web Services for Remote Portlets (WSRP) standard for integration of Web-based education contents and services made available through a model for a European Networked University. We first identify the requirements for such a framework that supports integration at the presentation level and collaboration in developing and updating study programmes and course materials. We then outline the architecture design, and report on the initial implementation and preliminary evaluation.