Qiang Shi

The authors develop a hybrid matrix product state–hierarchical equations of motion (MPS–HEOM) approach for numerically exact simulations of molecular polariton dynamics under static and dynamic disorder, introduce a convergence scale NT (the number of molecules needed for photonic dynamics to reach the thermodynamic limit), and find that dynamic disorder demands larger NT than static disorder while NT shows a turnover as the bath becomes more Markovian, rooted microscopically in phonon timescales regulating bright-to-dark energy transfer and the suppression of collective behavior.

The authors develop a hybrid matrix product state–hierarchical equations of motion (MPS–HEOM) approach for numerically exact simulations of molecular polariton dynamics under static and dynamic disorder, introduce a convergence scale NT (the number of molecules needed for photonic dynamics to reach the thermodynamic limit), and find that dynamic disorder demands larger NT than static disorder while NT shows a turnover as the bath becomes more Markovian, rooted microscopically in phonon timescales regulating bright-to-dark energy transfer and the suppression of collective behavior.