Quantum BC Seminar Series – Dr. Irina Paci

Quantum BC Seminar Series Tuesday, November 4, 2025 at 2pm BC Time with Dr. Irina Paci

Join on Zoom: https://ubc.zoom.us/j/69443327772?pwd=TGhhTXFIQ3ZiUmNrN0pUa3FObTNydz09

Meeting ID: 694 4332 7772 Passcode: 996727

Join in Person at UVic: ELL 305

Seminar Title: Computational Modelling of Polarization in Quantum Materials

Seminar Abstract: Polarization links atomic-scale charge rearrangements to the emergent behavior of quantum materials, underlying dielectric and optical response, charge noise and qubit coherence. In this talk, I will outline how first-principles calculations can capture these effects, moving from the modern Berry-phase theory of polarization to its practical implementation in density-functional and finite-field formalisms. I will discuss recent literature as well as our group’s work in understanding how polarization evolves at surfaces, interfaces, and low-symmetry environments relevant in quantum applications. Applications of theory to oxide-based dielectrics and ferroelectrics and their heterostructures illustrate how computed polarization differences, local dipoles, and defect-induced fields relate to measurable quantities. I will conclude with ongoing efforts in our group to use data-driven modeling to identify low-noise, polarization-tunable materials for quantum technologies.

Short biography: Irina Paci is a Professor of Chemistry at the University of Victoria. She completed her B.Sc. in Iași, Romania, and earned her Ph.D. at Queen’s University in Kingston, where she developed integral equation theories for liquids with low symmetry, including chiral and nematic systems. In 2004, she joined Northwestern University as a postdoctoral fellow with Mark Ratner, working on topics ranging from singlet fission processes for solar cells to self-assembled nanodielectrics and dip-pen nanolithography.

Since establishing her group at the University of Victoria in 2007, Dr. Paci has focused on developing and applying computational and theoretical methods for complex, nanostructured materials. Her group investigates polarization and optoelectronic response in metal and metal-oxide systems, with the dual goals of improving theoretical methodologies and guiding materials design for specific applications. A complementary research direction explores molecular and precursor deposition on metallic and oxide substrates, combining quantum-level investigations of binding and structure with mesoscale simulations to connect local interactions to macroscopic behavior.