Quantum Entanglement and Relaxation

Singlet Fission

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.
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.

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.