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Lecture Notes in Computer Science
To achieve scalable parallel performance in Molecular Dynamics Simulation, we have modeled and implemented several dynamic spatial domain decomposition algorithms. The modeling is based upon Valiant's Bulk Synchronous Parallel architecture model (BSP), which describes supersteps of computation, communication, and synchronization. We have developed prototypes that estimate the differing costs of several spatial decomposition algorithms using the BSP model. Our parallel MD implementation is notdoi:10.1007/bfb0018552 fatcat:evotkoeo4zccdi7ui7nam5kspe