Photocatalysis is a cutting-edge technology with the potential to solve environmental
pollution and energy crisis. In recent years, the great advantages of semiconductor quantum …

Semiconductor quantum dots have long been considered artificial atoms, but despite the
overarching analogies in the strong energy-level quantization and the single-photon …

Nanoscale clusters of bulk materials, also known as quantum dots (QDs), exhibit both
molecular and bulk properties. Unlike either bulk or molecular materials, QD properties can …

This work introduces the PYXAID program, developed for non-adiabatic molecular dynamics
simulations in condensed matter systems. By applying the classical path approximation to …

In our previous work [J. Chem. Theory Comput. 2013, 9, 4959], we introduced the PYXAID
program, developed for the purpose of performing nonadiabatic molecular dynamics …

A simple surface hopping method for nonadiabatic molecular dynamics is developed. The
method derives from a stochastic modeling of the time-dependent Schrödinger and master …

Femtosecond optical pump–probe spectroscopy with 10 fs visible pulses is employed to
elucidate the ultrafast carrier dynamics of few-layer MoS2. A nonthermal carrier distribution …

The ability to confine electrons and holes in semiconductor quantum dots (QDs) in the form
of excitons creates an electronic structure which is both novel and potentially useful for a …

Quantum confinement can dramatically slow down electron-phonon relaxation in
nanoclusters. Known as the phonon bottleneck, the effect remains elusive. Using a state-of …

Photoexcitation of the plasmon band in metallic nanoparticles adsorbed on a TiO2 surface
initiates many important photovoltaic and photocatalytic processes. The traditional view on …