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...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	International journal of advanced computer science & applications Jg. 10; H. 11
Hauptverfasser:	Alias, Norma, Sahnoun, Riadh, Fatin, Nur
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	West Yorkshire Science and Information (SAI) Organization Limited 2019
Schlagworte:	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
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!