Conspectus Organic semiconductors (OSs) are an exciting class of materials that have
enabled disruptive technologies in this century including large-area electronics, flexible …

Coherence refers to correlations in waves. Because matter has a wave-particle nature, it is
unsurprising that coherence has deep connections with the most contemporary issues in …

The simulations of spectroscopy and quantum dynamics are of vital importance to the
understanding of the electronic processes in complex systems, including the …

This review provides the fundamental theoretical tools for the development of a complete
wave‐function formalism for the study of time‐evolution of chemico‐physical systems at finite …

Marcus theory has been successfully applied to molecular design for organic
semiconductors with the aid of quantum chemistry calculations for the molecular parameters …

The nonlocal electron-phonon couplings in organic semiconductors responsible for the
fluctuation of intermolecular transfer integrals has been the center of interest recently …

The hierarchical equations of motion (HEOMs) have developed into an important tool in
simulating quantum dynamics in condensed phases. Yet, it has recently been found that the …

Electronic structure methods based on quantum mechanics (QM) are widely employed in the
computational predictions of the molecular properties and optoelectronic properties of …

We derive a stochastic hierarchy of matrix product states (HOMPS) for non-Markovian
dynamics in an open quantum system at finite temperature, which is numerically exact and …

Constructing matrix product operators (MPOs) is at the core of the modern density matrix
renormalization group (DMRG) and its time dependent formulation. For the DMRG to be …