Computational Biophysical Chemistry

Professor Mohammed A. Gharaibeh’s research is rooted in physical chemistry, with a particular focus on the spectroscopy of intermediate molecules, theoretical and computational chemistry, and the Renner-Teller effect in triatomic molecules. His work bridges experimental and theoretical approaches to unravel the complexities of molecular behavior and dynamics, contributing significantly to the fields of molecular spectroscopy and computational modeling.

A key area of Prof. Gharaibeh’s research involves the spectroscopic detection and characterization of transient molecules. His work, such as the detection of stannylidene (H₂C=Sn and D₂C=Sn) molecules in the gas phase, exemplifies his expertise in advanced spectroscopic techniques and his ability to explore the intricate details of molecular structures and reactions. His investigations into the Renner-Teller effect in triatomic molecules have furthered understanding of vibronic interactions and energy level splitting, providing insights into the fundamental properties of these systems.

Professor Gharaibeh is also deeply engaged in theoretical and computational chemistry, employing methods such as density functional theory (DFT) and time-dependent DFT (TD-DFT) to predict and analyze molecular properties. His studies on BODIPY dyes, including their photophysical properties and excitation energies, have practical implications for designing efficient dye-sensitized solar cells (DSSCs).

His interdisciplinary research extends to molecular docking and drug discovery, as demonstrated by his contributions to studies on the inhibitory effects of natural compounds on key biological targets. For instance, his collaborative work on Ephedra alte and its inhibitory effects on inflammatory markers showcases the application of computational techniques in identifying potential therapeutic agents. Additionally, his exploration of the structural and dynamical impacts of mutations in the p53 protein highlights his contributions to computational biochemistry and cancer research.

Professor Gharaibeh’s extensive publication record reflects his commitment to advancing knowledge across multiple domains of chemistry. His work has not only deepened the scientific understanding of molecular systems but also opened avenues for practical applications in materials science, drug discovery, and spectroscopy.