Irina Paci

Dr. Irina Paci is a Professor of Chemistry at the University of Victoria, specializing in theoretical and computational chemistry. Her research focuses on understanding molecular self-assembly processes, particularly at solid surfaces, and developing multi-scale computational methods to model materials' dynamic behavior under external fields. She holds a PhD from Queen's University and completed postdoctoral research at Queen's and Northwestern University.

Her work integrates Monte Carlo simulations, density functional theory (DFT), and quantum chemistry to study surface adsorption mechanisms, catalytic reactions, and nanocomposite dielectric properties. Key areas include cysteine adsorption on gold surfaces, palladium-catalyzed cross-coupling reactions, and the impact of solvent effects on reaction pathways. Recent studies explore aluminum oxide degradation in perovskite solar cells and quantitative reactivity models for nucleophilic aromatic substitution.

Teaching interests span physical chemistry, quantum mechanics, and computational methods. Dr. Paci leads the Paci Research Group, which includes graduate students like Archita Adluri and Natalie Stubb, focusing on advancing computational methodologies for energy materials and surface science. Her lab's work bridges fundamental theory with applications in nanotechnology and sustainable energy systems.