Quantum Entanglement and Relaxation
Dynamical phase diagram of the two-triplet states of singlet fission in molecular crystals. The bound states comprise the region of parameter space where the Bethe Ansatz phase acquires an imaginary part.
The triplet-triplet entanglement is measured through the Slater rank.
Triplets born out of singlet fission are entangled even if biexciton interactions are sufficiently weak that triplet pairs are unbound. Triplet extraction leads to a loss of classical information and therefore the quantum system becomes less entropic.
Singlet fission rate as a function of thermal fluctuations. Coupling low frequency chemical motion with electronic relaxation enhances singlet fission in both solution and crystalline phases up to the point where electronic states become self-trapped.
NonMarkovian fission rates differ from Marcus theory predictions over subpicosecond timescales where the chemical environment is slow to respond to changes in the electronic distribution.
Nonequilibrium and Nonergodic Dynamics
Stochastic Chemical Dynamics
Simulation of number fluctuations in the free induction decay of scattering-scanning near-field optical microscopy of subensembles with various values of the Kubo parameter.
Coarse-Grained Polymer Dynamics
Radial distribution function as a function of length computed for model A/B diblock copolymers with different stereochemical sequences. Insets contain simulation snapshots of A/B copolymer melts.