Towards Fast Scalable Solvers for Charge Equilibration in Molecular Dynamics Applications

Kurt A. O'Hearn, Hasan Metin Aktulga. Towards Fast Scalable Solvers for Charge Equilibration in Molecular Dynamics Applications. In 7th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems, ScalA@SC 2016, Salt Lake, UT, USA, November 14, 2016. pages 9-16, IEEE Computer Society, 2016. [doi]

Abstract

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