We describe a multiple electronic state adaptation of the mapping approach to surface
hopping introduced recently by Mannouch and Richardson [J. Chem. Phys. 158, 104111 …

We compare the recently introduced multi-state mapping approach to surface hopping
(MASH) with the Förster and Redfield theories of excitation energy transfer. Whereas Förster …

It is well-known that fewest-switches surface hopping (FSSH) fails to correctly capture the
quadratic scaling of rate constants with diabatic coupling in the weak-coupling limit, as …

We describe how to simulate charge diffusion in organic semiconductors using a recently
introduced mixed quantum–classical method, the mapping approach to surface hopping. In …

In response to a community prediction challenge, we simulate the nonadiabatic dynamics of
cyclobutanone using the mapping approach to surface hopping (MASH). We consider the …

Nonadiabatic dynamics methods are an essential tool for investigating photochemical
processes. In the context of employing first-principles electronic structure techniques, such …

In this work, we present a mixed quantum–classical open quantum system dynamics method
for studying rate modifications of ground-state chemical reactions in an optical cavity under …

A common approach to minimizing the cost of quantum computations is by unitarily
transforming a quantum system into a basis that can be optimally truncated. Here, we derive …

We develop a multi-state generalisation of the recently proposed mapping approach to
surface hopping (MASH) for the simulation of electronically nonadiabatic dynamics. This …

In previous work we have proposed a construction of quantum-like bits that could endow a
large, complex classical system, for example of oscillators, with quantum-like function that is …