Analysis of the basic implementation aspects of hardware-accelerated density functional theory calculations

MaRDI QIDQ2970234zbMATH OpenFDO

Authors MacIej Wielgosz, Grzegorz Mazur, Marcin Makowski, Ernest Jamro, Kazimierz Wiatr, P. Russek

Publication date 29 March 2017

zbMATH Keywords

floating-point operationsFPGAhigh performance reconfigurable computingquantum chemistry

Mathematics Subject Classification ID

Numerical algorithms for specific classes of architectures (65Y10) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

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Cited in

(1)

• Development and optimization of computational chemistry algorithms

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