A Quantum Dynamical Model of Bilirubin Photoisomerization under Clinically Relevant Neonatal Phototherapy Conditions

This dataset supports the research presented in the manuscript, "A Quantum Dynamical Model of Bilirubin Photoisomerization under Clinically Relevant Neonatal Phototherapy Conditions." The work develops and validates a minimal open quantum system model to characterize the initial photoexcitation dynamics of bilirubin during clinical blue-light phototherapy for neonatal jaundice. By modeling bilirubin as a driven-dissipative two-level system governed by a Lindblad master equation, the research quantifies steady-state populations, coherence timescales, and photoisomerization rates using parameters rigorously constrained by clinical and spectroscopic data. The analysis reveals the system operates in a weak-coupling, strong-dephasing quantum regime, justifying classical approximations while providing a foundational quantum mechanical baseline. The deposited dataset includes all final corrected parameters, computational scripts for solving the quantum master equation and performing sensitivity/uncertainty analyses, and the resulting data used to generate the manuscript's figures. This enables full transparency, reproducibility, and future extension of this interdisciplinary quantum biophysics model.