152 citations · 665 across the 19 of their papers we have counts for
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Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: A First-Principles Quantum Dynamical Study
Robert Binder, David Lauvergnat, Irene Burghardt
We report on high-dimensional quantum dynamical simulations of torsion-induced exciton migration in a single-chain oligothiophene segment comprising twenty repeat units, using a fi…
Coherent vs Thermally Activated Singlet Exciton Fission in Acene Derivatives From First Principles Quantum Dynamics Simulations: Molecular Packing Makes the Difference
Hiroyuki Tamura, Miquel Huix-Rotllant, Irene Burghardt +2
The mechanisms underlying coherent and thermally activated singlet exciton fission in pi-stacked acene crystals are clarified based on quantum dynamics simulations parameterized ag…
Electron transfer dynamics using projected modes
Andrey Pereverzev, Eric R. Bittner
For electron-phonon Hamiltonians with the couplings linear in the phonon operators we construct a class of unitary transformations that separate the normal modes into two groups. T…
Exciton dissociation at donor-acceptor polymer heterojunctions: quantum nonadiabatic dynamics and effective-mode analysis
Hiroyuki Tamura, Eric R. Bittner, Irene Burghardt
The quantum-dynamical mechanism of photoinduced subpicosecond exciton dissociation and the concomitant formation of a charge-separated state at a TFB:F8BT polymer heterojunction is…