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Fine-tuning of magnetic states via an understanding of spin injection on the edge of graphene nanoribbons should allow for greater flexibility of the design of graphene-based spintronics. On the basis of calculations, we predict that coupling constants of the exchange interaction in the series of nitroxide-functionalized ribbon compounds are antiferromagnetic across the ribbons with values 0.2–0.4 cm...
The methods are shown for overcoming rounding errors on different kinds of parallel computers. The typical problems are demonstrated and situation are investigated which lead to large increase of the errors mentioned. A family of packages are described for organizing the super-precision computations with dynamically changed length of operands for both SIMD and MIMD models of computations.
The paper deals with the development of parallel iterative algorithms for solving systems of linear equations in MIMD architecture. The problem is discussed taking into account factors, defining both the time and the accuracy of solution. The new parallel algorithm is described implementing the multistep refinement of results. The speedup is achieved using small operand length at early stages of solution...
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