4 papers · 1 filter
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…
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…
Formally Exact Simulations of Mesoscale Exciton Diffusion in a Photosynthetic Aggregate
Leonel Varvelo, Jacob K. Lynd, Brian Citty +2
The photosynthetic apparatus of plants and bacteria combine atomically precise pigment-protein complexes with dynamic membrane architectures to control energy transfer on the 10-10…
Formally exact, arbitrarily scalable simulations of exciton dynamics in molecular materials
Leonel Varvelo, Jacob K. Lynd, Doran I. G. Bennett
Excited state carriers, such as excitons, can diffuse on the 100 nm to micron length scale in molecular materials, but they only delocalize over short length scales due to coupling…