Simplice Koudjina has working as an Assistant Professor in Computational Chemistry and Molecular Modeling for Nanotechnology Applications at the National University of Sciences, Technology, Engineering, and Mathematics (UNSTIM) in BENIN, where he has worked since 2018. In 2016, he held a Ph.D. degree in Theoretical Chemistry and Molecular Surface Modeling at the University of Abomey-Calavi, and an M.Sc in Nanotechnology at the University of Namur in Belgium in 2014. He then joined the research group of Professor Guy Atohoun in the Unit of Theoretical Chemistry and Molecular Modeling (UCT2M) at the University of Abomey-Calavi (UAC) in BENIN. In 2022, he obtained a PostDoc research stay in the group of Professor Prabhakar Chetti in the Department of Chemistry at the National Institute of Technology (NIT) Kurukshetra–INDIA. In 2023, he took part in several international conferences in France, USA, India, South Africa, and Morocco, in the fields of Chemical Engineering and Organic Electronics Photovoltaic Devices. His field of expertise is Computational Theoretical Chemistry and Molecular Surface Modeling for Nanotechnology Applications. He has published more than 25 high-research articles in impact factor journals.