A twist angle at a van der Waals junction provides a handle to tune its optoelectronic
properties for a variety of applications, and a comprehensive understanding of how the twist …

Nonadiabatic molecular dynamics provides essential insights into excited-state processes,
but it is computationally intense and simplifications are needed. The classical path …

Two-dimensional magnet CrI3 is a promising candidate for spintronic devices. Using
nonadiabatic molecular dynamics and noncollinear spin time-dependent density functional …

Intense laser pulses can be used to demagnetize a magnetic material on an extremely short
timescale. While this ultrafast demagnetization offers the potential for new magneto-optical …

In two-dimensional magnets, the ultrafast photoexcited method represents a low-power and
high-speed method of switching magnetic states. Bilayer CrI3 (BLC) is an ideal platform for …

Perovskite solar cells have witnessed a surge in interest as a promising technology for low-
cost, high-efficiency photovoltaics with certified power conversion efficiencies beyond 25 …

Two-dimensional (2D) metal halide perovskites, such as BA2SnI4 (BA═ CH3 (CH2) 3NH3),
exhibit an enhanced charge carrier lifetime in experiments under strain. Experiments …

Real-time (RT) electronic structure methods provide a natural framework for describing light–
matter interactions in arbitrary time-dependent electromagnetic fields (EMF). Optically …

Two-dimensional (2D) antiferromagnetic (AFM) materials boasting a high Néel temperature
(TN), high carrier mobility, and fast spin response under an external field are in great …

Exploring ultrafast magnetization control in 2D magnets via laser pulses is established, yet
the interplay between spin dynamics and the lattice remains underexplored. Utilizing real …