Building a java modules for calculating the electronic structures using density functional theory and plane wave

In the calculation of the electronic structure consisting of many atoms with KSDFT method must be done using multiple computers (parallel computing). But collecting multiple computer in one place requires a large amount of funds. This can be overcome by sharing work across multiple computers in diff...

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Bibliographische Detailangaben

Hauptverfasser:	Wijaya, Agung Danu, Darwis, Darmawati
Format:	Tagungsbericht
Sprache:	eng
Schlagworte:	Communication Density functional theory Electronic structure FORTRAN Java Mathematical analysis Modules Plane waves
Online-Zugang:	Volltext
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