Simeon Akindele Abolade is a PhD student at the Faculty of Science, Atlantic Technological University (ATU), Sligo, Ireland, and a member of the Mathematical Modelling and Intelligent Systems for Health and Environment (MISHE) research group. He holds a BSc (Hons) degree in physics from the University of Ilorin, Nigeria, and MSc in theoretical physics from the University of Ibadan, Nigeria. He is currently enrolled as a PhD researcher at ATU Sligo, under the supervision of Dr. Akinlolu Akande, Dr. Fedwa El-Melouhi, and Prof.Stefano Sanvito.His research focuses on modelling novel materials for photovoltaics, photocatalytic, and thermoelectric applications using computational tools such as Density Functional Theory (DFT) and machine learning.