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Research of the SimLab Molecular Systems

Fast Coulomb Solvers

There is an ever-growing demand for efficient algorithms to overcome the bottleneck posed by long-range interactions in N-body problems which are found in a broad range of strategic areas in physics, chemistry and electrical engineering. At JSC, a number of these so-called fast Coulomb solvers are being pursued to speed up the Coulomb force calculation in such N-body systems. These algorithms reduce the computational effort from O(N2), to O(N log N) or O(N), enabling system sizes to be considered which would otherwise be simply intractable. more