Quantum Logic Spectroscopy of Polyatomic Molecules for Fundamental Physics Searches

Over the last decade, the quantum-logic spectroscopy (QLS) community has expanded from atomic species to diatomic molecules in ion traps. The ability to perform precision measurements with polyatomic molecules would introduce new experimental opportunities, as these molecules serve as sensitive sensors for fundamental physics. For instance, the inversion frequencies of H3O+ probe local position invariance; the energy differences between the left- and right-handed enantiomers of CHDBrI+ probe fundamental symmetry violation. In this work, we present collective theoretical efforts, bridging across first-principles predictions and AI-enabled quantum control schemes, to address the challenge posed by the densely populated ro-vibrational levels in polyatomic molecules. Specifically, we will discuss the design of a single state preparation scheme robust to environmental uncertainties and the resolution of hyperfine structure, employing interdisciplinary approaches that integrate artificial intelligence, AMO physics, and quantum chemistry.