Amorphous materials are metastable solids with only short-range order at the atomic scale,
which results from local intermolecular chemical bonding. The lack of long-range order …

Lithium-ion batteries have long been used in electronic products and electric vehicles, but
their energy density is slowly failing to keep up with demand. Because of its extraordinarily …

The success of first-principles electronic-structure calculation for predictive modeling in
chemistry, solid-state physics, and materials science is constrained by the limitations on …

The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Scanning transmission electron microscopy (STEM) allows for imaging, diffraction, and
spectroscopy of materials on length scales ranging from microns to atoms. By using a high …

Amorphous silicon (a-Si) is a widely studied noncrystalline material, and yet the subtle
details of its atomistic structure are still unclear. Here, we show that accurate structural …

Amorphous silicon (a-Si) is an important thermal-management material and also serves as
an ideal playground for studying heat transport in strongly disordered materials. Theoretical …

Solid silicon monoxide is an amorphous material which has been commercialized for many
functional applications. However, the amorphous structure of silicon monoxide is a long …

Ion-beam-induced amorphization in Si has attracted significant interest since the beginning
of the use of ion implantation for the fabrication of Si devices. A number of theoretical …

Cation-disordered rock salts (DRXs), a new class of cathode materials for Li-ion batteries,
have attracted a great amount of attention in recent years due to their fascinatingly simple …