Morphology‐controlled nanomaterials such as silica play a crucial role in the development
of technologies for addressing challenges in the fields of energy, environment, and health …

Quantum‐classical formulations of reactive flux correlation functions require the partial Weyl–
Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …

We investigate the polariton-mediated electron transfer reaction in a model system with
analytic rate constant theory and direct quantum dynamical simulations. We demonstrate …

We present numerically exact quantum dynamics simulations using the hierarchical
equation of motion approach to investigate the resonance enhancement of chemical …

The small matrix decomposition of the path integral (SMatPI) for a discrete system coupled to
a harmonic bath expresses the reduced density matrix in terms of matrices whose size is …

For a multistate system coupled to a general environment through terms local in the system
basis, we show that the time derivatives of populations are given in terms of imaginary …

Understanding the pathways taken by a quantum particle during a transport process is an
enormous challenge. There are broadly two different aspects of the problem that affect the …

The small matrix decomposition of the real-time path integral (SMatPI) allows for numerically
exact and efficient propagation of the reduced density matrix (RDM) for system-bath …

Tensor networks have historically proven to be of great utility in providing compressed
representations of wave functions that can be used for the calculation of eigenstates …

The ultimate regularity of quantum mechanics creates a tension with the assumption of
classical chaos used in many of our pictures of chemical reaction dynamics. Out-of-time …