The atomic scale dynamics of halide perovskites have a direct impact not only on their
thermal stability but also on their optoelectronic properties. Progress in machine-learned …

Halide perovskites have emerged as one of the most interesting materials for optoelectronic
applications due to their favorable properties, such as defect tolerance and long charge …

Methylammonium lead iodide (MAPbI3) perovskite nanocrystals (NCs) offer desirable
optoelectronic properties with prospective utility in photovoltaics, lasers, and light-emitting …

Halide perovskites have emerged as a promising class of materials for photovoltaic
applications. A challenge of these applications is preventing the crystal structure from …

We develop a computationally efficient scheme to accurately determine finite-temperature
band gaps for metal halide perovskites belonging to the class ABX3 (A= Rb, Cs; B= Ge, Sn …

Extensive machine-learning-assisted research has been dedicated to predicting band gaps
for perovskites, driven by their immense potential in photovoltaics. Yet, the effectiveness is …

Two-dimensional (2D) halide perovskites (HPs) are promising materials for various
optoelectronic applications; yet, a comprehensive understanding of their dynamics is still …

We determine the impact of anharmonic thermal vibrations on the fundamental band gap of
CsPbBr 3, a prototypical model system for the broader class of halide perovskite …

Although all-inorganic CsPbI3− xBrx (0≤ x≤ 3) perovskites largely display potential for
photoelectric applications, an in-depth understanding of the origin of the phase transition …

In metal halide perovskites, the complex dielectric screening together with low energy of
phonon modes leads to non-negligible Fröhlich coupling. While this feature of perovskites …