We present a quantum algorithm based on the generalized quantum master equation
(GQME) approach to simulate open quantum system dynamics on noisy intermediate-scale …

In this work, we report our implementation of several independent-trajectory mixed-quantum-
classical (ITMQC) nonadiabatic dynamics methods based on exact factorization (XF) in the …

Here we propose a mechanism by which spin-polarization can be generated dynamically in
chiral molecular systems undergoing photoinduced electron transfer. The proposed …

Spin quantum beats prove the quantum nature of reactions involving radical pairs, the key
species of spin chemistry. However, such quantum beats remain hidden to transient …

Recently, there has been much interest in the chirality-induced spin selectivity effect,
whereby electron spin polarization, which is dependent on molecular chirality, is produced …

The study of open system quantum dynamics has been transformed by the hierarchical
equations of motion (HEOM) method, which gives the exact dynamics for a system coupled …

Fewest-switches surface hop** (FSSH) has emerged as one of the leading methods for
modeling the quantum dynamics of molecular systems. While its original formulation was …

The radical pair mechanism accounts for the magnetic field sensitivity of a large class of
chemical reactions and is hypothesised to underpin numerous magnetosensitive traits in …

Stretched electron-donor-bridge-acceptor triads that exhibit intramolecular twisting degrees
of freedom are capable of modulating exchange interaction (J) as well as electronic …

In this paper, we outline a physically motivated framework for describing spin-selective
recombination processes in chiral systems, from which we derive spin-selective reaction …