Quantum Mechanics
Project Title: Strong Light-Matter Interactions to Control Molecular Behavior
Goal:
To develop advanced computational frameworks that predict and enable control of molecular properties when strongly coupled with light, leading to new approaches for energy conversion, catalysis, and quantum technologies.
Approach:
We are developing next-generation computational methods that bridge quantum chemistry and cavity quantum electrodynamics (QED) to understand and manipulate molecules under strong light-matter coupling conditions. By advancing rigorous and scalable methodologies based on multi-component (electron-photon) complete active space configuration interaction theory, we can predict how collective molecular ensembles behave when strongly coupled to quantized light modes in nanoscale optical cavities. These theoretical advances may help to support experimental efforts by providing quantitative insights into how light-matter interactions can enhance chemical transformations, improve photochemical efficiency, and create platforms for quantum information processing.
principal investigator:
