The researcher employs electron and X-ray spectroscopy techniques, specifically coupling i-PI and ONETEP codes, to enable large-scale simulations of both electrons and nuclei interactions for thousands of atoms. This approach is focused on computational methods in the Physical Sciences domain, aiming to model scale-dependent interactions at a fundamental level.
Faculty Biography
I'm a computational Chemist and and High-Perfrmance Computing specialist with an interest in research along the lines of materials chemistry and chemical biology. Basically, the chemistry of hydrogren and oxygen interests me. My training, both home and abroad gives me a diverse perspective of addressing scientific poblem. I like inter disciplinary research, and so, i interface with ohter scientist who have problems that requires high-Performance computing concepts and collaborate in that regard.
Electron and X-Ray Spectroscopy Techniques
Coupling of i-PI and ONETEP codes to enable large/petaScale simulations for first principles modeling of both electrons and nuclei for thousands of atoms
Department of Chemistry
Kwame Nkrumah University of Science and Technology