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Cooperative effects in neural networks appear because a neuron fires only if a minimal number m of its inputs are excited. The multiple inputs requirement leads to a percolation model termed quorum percolation. The connectivity undergoes a phase transition as m grows, from a network–spanning cluster at low m to a set of disconnected clusters above a… (More)

We present a fully numerical multigrid approach for solving the all-electron Kohn-Sham equation in molecules. The equation is represented on a hierarchy of Cartesian grids, from coarse ones that span the entire molecule to very fine ones that describe only a small volume around each atom. This approach is adaptable to any type of geometry. We demonstrate it… (More)

Hydrogen plays a significant role in the formation of nanodiamond, terminating diamond surfaces and removing sp 2 bonded atoms from the surface during CVD diamond growth. However, there are only a few calculations that simulate nanodiamond development directly, and even less that do so in a hydrogen-containing environment. Recently, nanoscale graphitic… (More)

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