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Light-matter interaction not only plays an instrumental role incharacterizing materials' properties via various spectroscopic techniques butalso provides a general strategy to manipulate material properties via thedesign of novel nanostructures. This perspective summarizes recent theoreticaladvances in modeling light-matter interactions in chemistry, mainly focusing onplasmon and polariton chemistry. The former utilizes the highly localizedphoton, plasmonic hot electrons, and local heat to drive chemical reactions. Incontrast, polariton chemistry modifies the potential energy curvatures of bareelectronic systems, and hence their chemistry, via forming light-matter hybridstates, so-called polaritons. The perspective starts with the basic backgroundof light-matter interactions, molecular quantum electrodynamics theory, and thechallenges of modeling light-matter interactions in chemistry. Then, the recentadvances in modeling plasmon and polariton chemistry are described, and futuredirections toward multiscale simulations of light-matter interaction-mediatedchemistry are discussed.

Theory and modeling of light-matter interactions in chemistry: current and future