My research focuses on employing quantum mechanics and molecular mechanics (QM/MM) approaches to study the photochemistry of a pigment in phycobiliproteins. Modeling the charge transfer states in phycocyanobilins will help us to understand the molecular mechanisms used by organisms in response to a sudden increase in light intensity. Exploring the origin of far-red emission states using electronic structure methods will be used in the design of artificial light-harvesting materials. I am also interested in the role of metals in medicine. I enjoy designing and synthesis of coordination compounds of different metal center for antioxidant and anticancer activities where computational chemistry play great role from ligand screening to quantum chemical computation.