Programming massively-parallel machine is a daunting task for any human programmer and parallelization may even be impossible for any compiler. Instead, the functional programming paradigm may prove to be an ideal solution by providing an implicitlyparallel interface to the programmer. We describe here the Sisal project (Stream and Iteration in a Single Assignment Language) and its goal to provide a general-purpose user interface for a wide range of parallel processing plaqorms.
New experimental techniques combined with computer molecular dynamics simulations of increasing complexity are beginning to permit a detailed examination of the initial steps in the complex chemistry describing the high-temperature, high-pressure regime associated with combustion and detonation as well as processes that may be involved in shock-induced chemistry. We present the results of several simulations that describe the generation of moderately strong shocks and their interaction with molecules embedded in weakly-bound clusters, with material defects such as microscopic voids, and with molecular species placed in the neighborhood of such defects.
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