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.
| Published in | International Journal of Materials Science and Applications (Volume 6, Issue 4) |
| DOI | 10.11648/j.ijmsa.20170604.14 |
| Page(s) | 190-192 |
| Creative Commons |
This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited. |
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Copyright © The Author(s), 2024. Published by Science Publishing Group |
High Performing Computers, Computer Simulations, Lattice Parameter
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APA Style
Elicah Nafula Wabululu, P. W. O. Nyawere, Daniel Barasa Bem. (2017). Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies. International Journal of Materials Science and Applications, 6(4), 190-192. https://doi.org/10.11648/j.ijmsa.20170604.14
ACS Style
Elicah Nafula Wabululu; P. W. O. Nyawere; Daniel Barasa Bem. Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies. Int. J. Mater. Sci. Appl. 2017, 6(4), 190-192. doi: 10.11648/j.ijmsa.20170604.14
AMA Style
Elicah Nafula Wabululu, P. W. O. Nyawere, Daniel Barasa Bem. Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies. Int J Mater Sci Appl. 2017;6(4):190-192. doi: 10.11648/j.ijmsa.20170604.14
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Download@article{10.11648/j.ijmsa.20170604.14,
author = {Elicah Nafula Wabululu and P. W. O. Nyawere and Daniel Barasa Bem},
title = {Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies},
journal = {International Journal of Materials Science and Applications},
volume = {6},
number = {4},
pages = {190-192},
doi = {10.11648/j.ijmsa.20170604.14},
url = {https://doi.org/10.11648/j.ijmsa.20170604.14},
eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ijmsa.20170604.14},
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.},
year = {2017}
}
TY - JOUR T1 - Scientific Research Through Simulation in Africa: Role of HPC in Computational Material Studies AU - Elicah Nafula Wabululu AU - P. W. O. Nyawere AU - Daniel Barasa Bem Y1 - 2017/07/06 PY - 2017 N1 - https://doi.org/10.11648/j.ijmsa.20170604.14 DO - 10.11648/j.ijmsa.20170604.14 T2 - International Journal of Materials Science and Applications JF - International Journal of Materials Science and Applications JO - International Journal of Materials Science and Applications SP - 190 EP - 192 PB - Science Publishing Group SN - 2327-2643 UR - https://doi.org/10.11648/j.ijmsa.20170604.14 AB - 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. VL - 6 IS - 4 ER -
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