3 papers
physics.chem-ph2025
Characterizing the Role of Peierls Vibrations in Singlet Fission with the Adaptive Hierarchy of Pure States
Jacob K. Lynd, Doran I. G. B. Raccah
Singlet fission, a phenomenon in which a singlet exciton is converted to two triplet excitons, is sensitive to vibrations that perturb couplings between electronic states (i.e., Pe…
physics.chem-ph2025
Formally exact fluorescence spectroscopy simulations for mesoscale molecular aggregates with scaling
Tarun Gera, Alexia Hartzell, Lipeng Chen +2
We present a size-invariant (i.e., ) scaling algorithm for simulating fluorescence spectroscopy in large molecular aggregates. We combine the dyadic adaptive hierarchy of pure…
physics.chem-ph2024
MesoHops: Size-invariant scaling calculations of multi-excitation open quantum systems
Brian Citty, Jacob K. Lynd, Tarun Gera +2
The photoexcitation dynamics of molecular materials on the 10-100 nm length scale depend on complex interactions between the electronic and vibrational degrees of freedom, renderin…