Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies
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Date
2017
Authors
Wabululu, Elicah Nafula
Nyawere, P.W.O.
Bem, Daniel Barasa
Journal Title
Journal ISSN
Volume Title
Publisher
Science Publishing Group
Abstract
Africa is not investing much in computational materials research. Poor infrastructure in terms of electricity and
internet connectivity has made research difficult for computational researchers. High Performing Computers and especially
CHPC of South Africa have proven to be a better way of doing research in Africa. It has attracted many researchers in Physics,
Chemistry and Biology just to name a few. In these initial studies, LaF3 has been presented as a case study currently being
done in CHPC yet miles away from Kenya. With the actual speed achieved and resources used (e.g. twelve times speed and
over 20 CPUs). For the lattice parameter for LaF3, the experimental work has given a value of 7.20 Bohr and 7.36 Bohr
respectively while our computational results are 7.24 Bohr and 7.37 Bohr respectively. The deviation between experimental
and computational proves to be small hence validating our computational research.
Description
Research Article
Keywords
High Performing Computers, Computer Simulations, Lattice Parameter
Citation
Elicah Nafula Wabululu, P. W. O. Nyawere. Daniel Barasa Bem. Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies. International Journal of Materials Science and Applications. Vol. 6, No. 4, 2017, pp. 190-192. doi: 10.11648/j.ijmsa.20170604.14