Materials databases for the computational materials scientist

Until recently, many computational materials scientists have shown little interest in materials databases. This is now changing because the amount of computational data is rapidly increasing and the potential for data mining provides unique opportunities for discovery and optimization. Here, a few examples of such opportunities are discussed relating to structural analysis and classification, discovery of correlations between materials properties, and discovery of unsuspected compounds.     

A TABU SEARCH APPROACH TOWARDS CONGESTION AND TOTAL FLOW MINIMIZATION IN OPTICAL NETWORKS

This paper considers rearrangeable multihop lightwave networks whereby each network node is equipped with a number p of transmitters and receivers, and a spectrum of wavelengths is accessible by, and shared among, all nodes by using the Wavelength Division Multiplexing (WDM). Depending on input traffic flow, nodal transmitters and receivers can be re-tuned to create virtual connectivity best suited with respect to a given optimization criterion. We present an efficient heuristic algorithm that combines two criteria for optimization: throughput maximization, as well as total flow minimization. Throughput maximization criterion is equivalent to congestion minimization, while minimizing total flow under the assumption of having links with equal lengths implies minimization of the average number of hops. Taking into account lengths of the links (i.e. link costs proportional with distances), the total flow minimization becomes equivalent to the total delay minimization. Tabu search is implemented as a two-ph