Computational Physical Chemist School of Science,
Technology and Engineering
Department of Chemistry and Biochemistry
Currently the Dean, School of Science, Technology and Engineering. Denis is a PhD holder in Molecular and Structural Chemistry with a special interest in computational chemistry and transition metal complexes. He is actively involved in teaching, research and administration in the university. He is working on a collaborative project on materials for energy storage with collaborators from University of Grenoble. The work has earned him a postdoctoral study in France and the USA. He is also engaged in the development of computational chemistry in Africa under the African School on Electronic Structure and Methods (ASESMA). A member of the Material Research Society of Kenya (MRSK). See links for further information.
Postdoctorate (Universite of Grenoble Alpes), 2019
Finding the minimum energy passes on the triplet energy surface of ruthenium polypyridine complexes over which the reactions are most likely to deactivate
Ph.D (Molecular and Structural Chemistry), 2017, Grenoble Alpes University (France). Thesis: “Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium Polypyridine Complexes.” https://tel.archives-ouvertes.fr/tel-01712697
M.Sc (Physical Chemistry), 2013, University of Eldoret. Thesis: “ab-initio Studies of Magnesium Hydride and Lithium Hydride for Hydrogen Storage Applications: A Density Functional Theory Study.” Environmental Impact Assessment and Environmental Audit Course, 2009 Moi University. Registered with National Environment Management Authority (NEMA) as an associate expert.
B.Sc (Chemistry), 2009, Moi University
Inorganic and Physical Chemistry (Computational Chemistry) as well as experimental work. Simulation and study of energy storage materials using ab-initio methods and other new materials that may contribute to the improvement of energy efficiency. Currently, material science is also an area of interest. Projects currently ongoing include energy barrier search for transition metal complexes, excitonic
effects on spectra of parallel stacked ethylene, CO2 photoreduction at nanostructured copper oxides surfaces and alloying Cu for enhanced CO2 electro-reduction and
product selectivity. Some of the work is being in collaboration with researchers from
Moi University, University of Eldoret and Universite of Grenoble Alpes.
Journal Publications:
o Conferences
34th Annual Workshop on Recent Developments in Electronic Structure, ES22 at Columbia University, New York city, USA. (https://www.apam.columbia.edu/international-workshop-recent- developments-electronic-structure-es22-1). Tuesday May 31 to Friday June 3, 2022.
Time-Dependent Density Functional Theory (TD-DFT) Student Seminar Series. Online, (https://sites.rutgers.edu/dft-student-seminar/). Every Tuesday from 6ᵗʰ July - 3ʳᵈ August, 2021.
The 6ᵗʰ African School on Electronic Structure Methods and Applications (ASESMA 2021). Online, (http://indico.ictp.it/event/9553/). 31ˢᵗ May-11ᵗʰ June, 2021.
On-line Workshop on Excited Charge Dynamics in Semiconductors International Centre for Theoretical Physics. 28ᵗʰ-30ᵗʰ September, 2020.
Summer school/workshop on Computational Chemistry. University of Mauritius, Mauritius, 29 September to 12 October, 2019.
The 5th African School on Electronic Structure Methods and Applications (ASESMA 2018). Addis Ababa Science and Technology University (AASTU), Addis Ababa, ETHIOPIA. 22nd October-3rd November, 2018.
Computational Modelling and Materials Science (CMMS) Workshop. Masinde Muliro University of Science and Technology, Kakamega. 6-7th July, 2017.
The 4th African School on Electronic Structure Methods and Applications (ASESMA 2016). University of Ghana, Accra, GHANA. 13-24th June, 2016.
The 3rd African School on Electronic Structure Methods and Applications (ASESMA 2015). University of the Witwatersrand, Johannesburg, SOUTH AFRICA. 19-30th Jan, 2015.
The 2nd Science, Technology and Innovation week organized by the National Commission for Science, technology and innovation. Kenyatta International Conference Centre (K.I.C.C) Nairobi, 13th to 17th May, 2013.
The 1st Young Scientist Material Science and Solar Energy Network for Eastern and Southern Africa (MSSEESA), Conference on Material Science and Solar Cell Technology. United Kenya Club, Nairobi, 28th to 29th November, 2013.
Quantum Espresso and Quantum Monte Carlo Workshop. Chepkoilel University College (Moi University), KENYA. February, 2012.
The 2nd African School on Electronic Structure Methods and Applications (ASESMA 2012). Chepkoilel University College (Moi University), KENYA. 28th May to 8th June, 2012.
Nanotechnology and Materials Science Conference. Kenyatta University, KENYA. 18th July to 20th July, 2012.
School on Numerical Methods for Materials Science Related to Renewable Energy Applications. International Centre for Theoretical Physics, Trieste, ITALY. 26th to 30th November, 2012.
o Books
Green Chemistry and Computational Chemistry: Shared Lessons in Sustainability. Advances in Green and Sustainable Chemistry. Editor: Liliana Mammino. Elsevier Science, 2021. ISBN 0323851827, 9780323851824 https://books.google.co.ke/books?id=exExEAAAQBAJ
o Publications
Pembere, A. M., Magero, D., Barasa, G. O., Mutua, G. K., Louis, H., & Wu, H. (2022). Ethanol Conversion to Butanol over Small Coinage Metal Clusters: An Experimental and Computational Study. Journal of Cluster Science, 1-9. https://doi.org/10.1007/s10876-022-02344-0
Barasa, G. O., Awino, C., Li, C., Agumba, J. O., Okoth, K. O., & Magero, D. (2022). Indium decorated nanoporous Ag as an efficient catalyst for enhanced CO2 electroreduction. Solid State Sciences, 129, 106916. https://doi.org/10.1016/j.solidstatesciences.2022.106916
Anthony M.S. Pembere, Haiming Wu, Pan An, Dennis Magero, Hitler Louis, Zhixun Luo. Guerbet coupling of methanol catalysed by titanium clusters. Chemical Physics Letters, Volume 802, 2022, Pages 139719, https://doi.org/10.1016/j.cplett.2022.139719
Anthony M. Pembere, Julius Matsiko , Godfrey Muhwezi, Maina John Nyongesah, Denis Magero. Concentration and Health Exposure Risk Assessment of potentially toxic metal Pollution in Selected Food Crops in Western Kenya. African Journal of Environmental Science and Technology, Vol. 15(1)
Denis Magero, Mark E. Casida, George Amolo, Nicholas Makau and Lusweti Kituyi. Partial Density of States Ligand Field Theory (PDOS-LFT): Recovering a LFT-Like Picture and Application to Photoproperties of Ruthenium Polypyridine Complexes. J. Photoch. Photobio. A, Volume 348, 2017, Pages 305-325, https://doi.org/10.1016/j.jphotochem.2017.07.037
Magero Denis, Lusweti Kituyi, Makau Nicholas and Amolo George. Materials for the Hydrogen Energy Economy: Magnesium Hydride (MgH2) and Lithium Hydride (LiH). Kenya J. Sci. Tech. Inn. Vol 5(2015): 95-103.
o Conference Papers
Magero Denis, Makau Nicholas, Amolo George and Lusweti Kituyi. ab-initio studies of Lithium Hydride and Magnesium Hydride for hydrogen storage applications. The Nanotechnology and Materials Science Conference, Kenyatta University, 18th to 20th July, 2012.
Magero Denis, Lusweti Kituyi, Makau Nicholas and Amolo George. Materials for the Hydrogen Energy Economy: Magnesium Hydride (MgH2 ) and Lithium Hydride (LiH). The Second National Science, Technology and Innovation Week, 13th -17th May 2013.
Magero D., Makau N. W., Amolo G. O., Lutta S., Okoth M. D. O., Mwabora J. M., Musembi R. J., Maghanga, C. M., and Gateru R. Hydrogen as an alternative fuel: An ab-initio study of Lithium Hydride and Magnesium Hydride. 1st Young Scientist Material Science and Solar Energy Network for Eastern and Southern Africa (MSSEESA), Conference on Material Science and Solar Cell Technology. United Kenya Club, Nairobi, 28th to 29th November, 2013.
CHE 110: Fundamentals of Chemistry
CHE 112: Introduction to Analytical Chemistry
CHE 103: Introduction to Thermodynamics and Kinetics
CHE 104: Organic Chemistry I
CHE 210: Atomic Structure and Bonding
CHE 201: Chemical Analysis and Structure Determination
CHE 310: Chemistry of the S-and P- Block Elements
CHE 317: Electrochemistry
CHE 304E: Surface and Colloid Chemistry
https://www.researchgate.net/profile/Denis_Magero https://arxiv.org/abs/1707.03665 https://scholar.google.com/citations?user=RUZYCA0AAAAJ&hl=en https://sites.google.com/site/markcasida/home/theses https://www.theses.fr/224319094 https://tel.archives-ouvertes.fr/tel-01712697/ http://mcc.illinois.edu/workshops/electronicstructure/2019/Talks/ES2019_Martin.pdf https://sites.google.com/site/asesmasite/people/kenya-2012/participants https://sites.google.com/site/asesma2015/names-faces/tutors
•Email: dmagero@au.ac.ke, magerode@gmail.com