We examine parallel algorithms for molecular dynamics simulations involving long-range induction interactions. The algorithms are tested by performing molecular dynamics simulatio...
High performance computers currently under construction, such as IBM’s Blue Gene/L, consisting of large numbers (64K) of low cost processing elements with relatively small local...
Ed Upchurch, Paul L. Springer, Maciej Brodowicz, S...
Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modern supercomputers is described. Efficient utilization o...
Data sources, storage, computing resources and services are entities on Grids that require mechanisms for publication and lookup. A discovery service relies on efficient lookup to...