Journal of Molecular Biology

Professor Noureddine ISSAOUI is a Full Professor of Physics at the Higher Institute of Computer Science and Mathematics of Monastir (ISIMM), University of Monastir, Tunisia. He is also a member of the Laboratory of Quantum Physics and Statistics at the Faculty of Sciences of Monastir.

He obtained his Doctorate in Physics from the Faculty of Sciences of Monastir in 2010, followed by a University Habilitation (HDR) in 2016. His academic background includes a Master’s degree in Materials, Devices, and Microelectronic Systems and a solid foundation in physical sciences built at the same institution.

Prof. ISSAOUI  began his career in 2003 as a secondary education teacher after passing the national teaching aptitude exam (CAPES). In 2010, he joined higher education as an Assistant in Physics at the Preparatory Institute for Engineering Studies of Monastir. He later became Assistant Professor (2013–2018), Associate Professor (2018–2025), and was promoted to Full Professor in 2025.

His research interests span a wide spectrum of modern theoretical and computational chemistry and physics, including ab-initio calculations, Density Functional Theory (DFT), molecular modeling, spectroscopy, molecular dynamics, non-covalent interactions, topological analysis, organic/hybrid materials, and molecular docking with biological activity evaluation. He has authored and co-authored over 150 scientific articles published in high-impact international journals indexed in Scopus, Web of Science, and other major databases.

Prof. Issaoui has supervised multiple master’s and doctoral theses, contributing significantly to the formation of young researchers in Tunisia and abroad. His teaching portfolio covers a wide range of courses at Bachelor’s and Master’s levels, including electromagnetism, thermodynamics, optical systems, quantum mechanics, and optoelectronic components.

Actively engaged in academic governance, he serves on various scientific committees such as the ISIMM Scientific Council, the Quality Commission, and recruitment committees. He also participates in numerous national and international thesis juries, reinforcing academic standards in higher education.

In addition to his research and teaching activities, Prof. ISSAOUI is an active peer reviewer for prestigious scientific journals (Elsevier, MDPI, ACS, Taylor & Francis) and serves as a Guest Editor for Molecules in a special issue dedicated to advances in Density Functional Theory (DFT).

• Ab-initio and Quantum Chemical Methods: Density Functional Theory (DFT), TD-DFT, molecular orbital analysis, electronic structure calculations. Molecular Modeling and Simulation: Molecular dynamics, Monte Carlo simulations, structure–property relationships. Spectroscopy and Structural Characterization: Infrared (IR), Raman, NMR, vibrational analysis, and interpretation of experimental–theoretical spectra. Non-Covalent Interactions & Topological Analysis: Hydrogen bonding, van der Waals interactions, QTAIM, RDG, MESP, and energy decomposition approaches. Organic, Hybrid, and Supramolecular Materials: Design, synthesis, and study of organic–inorganic compounds, crystal engineering, and materials with potential NLO or electronic applications. Molecular Aggregates and Cluster Chemistry: Modeling and analysis of Xm?–Gr?? aggregates, intermolecular potentials, and aggregation mechanisms. Computational Biophysics and Drug Design: Molecular docking, drug-likeness evaluation, structure–activity relationships (SAR), and in-silico prediction of biological activity. Physicochemical Properties of Complex Systems: Liquid mixtures, intermolecular interactions, thermodynamic modeling, and solution chemistry.