Guy Maurel Dzifack Kenfack
In my study, I investigated on the opto-electrical, electronic and thermodynamic properties of a carbon nanoring using one CHPC resource, Gaussian 16 program.
Andile Mazibuko
The properties of titanium such as good conductivity, make it an ideal material for various applications. My work focuses on understanding titanium production and investigating ways on how to enhance the production process.
Neani Tshilande
Presentation of the motivations, methodology and main results of a project focusing on the computational study of acylphloroglucinols with antimalarial and anticancer activities, and the relevance of using the CHPC for the conduction of this project.
Samaneh Teimouri
In my project which is “Metal extraction from waste resources” I try to combine experimental
and theoretical work to find valid reasons to support what is happening and why they happen
in my project to make a comprehensive conclusion at the end
Shane de Beer
A computational study on the interactions guiding the adsorption of guest molecules onto materials to develop materials for capturing and converting pollutants into useful products.
Thabile Madlala
Presentation focuses on vaccine design against Toxoplasma gondii in ovines (sheep) using Toxoplasma gondii antigens through Immunoinformatic techniques.
Yibain Khokho Emmanuella Claudia
We propose in this computational study a doping of the molecule 2,5,8,11,14,17-hexa-tert-butyl-hexa-peri-hexabenzocoronene with a potassium atom. Through the results, we notice that the proposed derivative has potential applications in nonlinear optics.
Zakeina Hooseen
The Effects of Geostatistical Downscaling on Eddy Kinetic Energy in the Southern Ocean.
Blessing Rikhotso
Classical molecular dynamics simulations based on the amorphization, and recrystallization (A + R)
method were performed on lithiated, sodiated, and magnesiated TiO2 nanospheres at various
temperatures using an atomistic-scale DL _POLY code software package.
Moola Nyambe
Repurposing sesquiterpene lactones for
gonorrhea treatment: Docking and QSPR Studies
of xerantholide and its analogues.
Tlakale Mogebisa
The presentation highlights the importance of wind energy as a potentially viable alternative renewable energy source for a greener economy over Southern Africa and Africa, and the importance of reliable seasonal wind speed predictions for informing wind power generation.
Nomagugu Belinda Ncube
In this study, a computational technique known as virtual screening will be utilized to find new inhibitors for an enzyme has been biologically validated to be a key drug target for prevention, treatment and elimination of Malaria.