This project, acquiring a high-performance distributed-memory cluster, will enable computationally aggressive techniques to be applied in a variety of disciplines. This cluster is designed to support the following projects:
-Investigating the role of solvent in catalytic organometallic transformations, -Study of arthropod evolutionary diversification, -Computational fluid dynamics development of advanced engines, -Molecular dynamics simulations of the voltage-gated potassium channel, Kv1.3, -Study of p53-binding S100 proteins, -All-electron studies on the explosive nature of organic molecular crystals, and -Strategies to reduce the risk associated with the atmospheric emission of Hg compounds.
Each of these applications is discussed and computational methods to be employed and their hardware and software requirements are presented. A system including fast interconnect and up to 256 processors with 2 GBytes of local memory, accompanied by several TBytes of online storage, is proposed.
