We examine the many open questions that arise for nonadiabatic dynamics in the presence
of degenerate electronic states, eg, for singlet-to-triplet intersystem crossing where a …

With light–matter interaction extending into the strong regime, as well as rapid development
of laser technology, systems subjecting to a time-periodic perturbation have attracted broad …

We develop a trajectory-based approach for excited-state molecular dynamics simulations of
systems subject to an external periodic drive. We combine the exact-factorization formalism …

When the coupled electron-nuclear dynamics are subjected to strong Floquet driving, there
is a strong breakdown of the Born-Oppenheimer approximation. In this paper, we derive a …

We develop a Floquet surface hopping approach to deal with nonadiabatic dynamics of
molecules near metal surfaces subjected to time-periodic drivings from strong light–matter …

The capability of fewest-switches surface hopping (FSSH) to describe non-adiabatic
dynamics under explicit excitation with external fields is evaluated. Different FSSH …

The field of materials for quantum information science is rapidly growing with a focus on
scaling and integrating new solid-state qubits. However, despite the extraordinary progress …

The Born-Oppenheimer (BO) approximation has shaped our understanding on molecular
dynamics microscopically in many physical and chemical systems. However, there are many …

The controlling of the transmission in the pseudospin-one Dirac–Weyl systems offers a rich
tool to study new concepts of massive Dirac electron tunneling by means of a time …

We propose a novel means to isolate and quantify the effects of Berry force on molecular
dynamics using two reasonably strong continuous wave (CW) laser fields with frequencies …