On the Prediction of Properties of Benzene using MP4 Method Executed on High Performance Computing with Heterogeneous Platform

High computational complexity problem, high computational cost and deal with a big data are the motivation to study the physical and chemical properties of benzene. Based on the limitation of memory system, processor speed and huge time step computation, we propose the implementation of parallel Gau...

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Vydané v:	International journal of advanced computer science & applications Ročník 10; číslo 11
Hlavní autori:	Alias, Norma, Sahnoun, Riadh, Fatin, Nur
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	West Yorkshire Science and Information (SAI) Organization Limited 2019
Predmet:	Algorithms Benzene Big Data Chemical properties Computing costs Data transmission Energy gap Geometric accuracy High performance computing Hydrocarbons Microprocessors Molecular orbitals Performance evaluation Perturbation theory Processors Run time (computers)
ISSN:	2158-107X, 2156-5570
On-line prístup:	Získať plný text
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