Accelerating Sparse Arithmetic in the Context of Newton's Method for Small Molecules with Bond Constraints

Carl Christian Kjelgaard Mikkelsen, Jesús Alastruey-Benedé, Pablo Ibáñez-Marín, Pablo García-Risueño. Accelerating Sparse Arithmetic in the Context of Newton's Method for Small Molecules with Bond Constraints. In Roman Wyrzykowski, Ewa Deelman, Jack Dongarra, Konrad Karczewski, Jacek Kitowski, Kazimierz Wiatr, editors, Parallel Processing and Applied Mathematics - 11th International Conference, PPAM 2015, Krakow, Poland, September 6-9, 2015. Revised Selected Papers, Part I. Volume 9573 of Lecture Notes in Computer Science, pages 160-171, Springer, 2015. [doi]

Authors

Carl Christian Kjelgaard Mikkelsen

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Jesús Alastruey-Benedé

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Pablo Ibáñez-Marín

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Pablo García-Risueño

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