Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies
International Journal of Materials Science and Applications
Volume 6, Issue 4, July 2017, Pages: 190-192
Received: Apr. 21, 2017; Accepted: May 17, 2017; Published: Jul. 6, 2017
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Elicah Nafula Wabululu, Department of Physics, Kenyatta University, Nairobi, Kenya
P. W. O. Nyawere, Department of Physical Sciences, Rongo University, Rongo, Kenya
Daniel Barasa Bem, Department of Physics, Kenyatta University, Nairobi, Kenya
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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.
High Performing Computers, Computer Simulations, Lattice Parameter
To cite this article
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
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