Showing physics.chem-phShow all
3 papers · 1 filter
physics.chem-ph2024
Symmetry breaking fluctuations split the porphyrin Q bands
Zachary R. Wiethorn, Kye E. Hunter, Andrés Montoya-Castillo +1
Porphyrins offer a malleable and cost-efficient platform to sculpt bioinspired technologies with tunable charge transfer, energy conversion, and photocatalytic properties. Yet, des…
physics.chem-ph2024
Computing linear optical spectra in the presence of nonadiabatic effects on Graphics Processing Units using molecular dynamics and tensor-network approaches
Evan Lambertson, Dayana Bashirova, Kye E. Hunter +2
We compare two recently developed strategies, implemented in open source software packages, for computing linear optical spectra in condensed phase environments in the presence of…
physics.chem-ph2024
Environmentally driven symmetry-breaking quenches dual fluorescence in proflavine
Kye E. Hunter, Yuezhi Mao, Alex W. Chin +1
Nonadiabatic couplings between several electronic excited states are ubiquitous in many organic chromophores and can significantly influence optical properties. A recent experiment…