The global demand for data storage and processing has increased exponentially in recent
decades. To respond to this demand, research efforts have been devoted to the …

Atomic‐scale modeling and understanding of materials have made remarkable progress,
but they are still fundamentally limited by the large computational cost of explicit electronic …

Computer simulations can play a central role in the understanding of phase-change
materials and the development of advanced memory technologies. However, direct quantum …

Operation speed is a key challenge in phase-change random-access memory (PCRAM)
technology, especially for achieving subnanosecond high-speed cache memory …

CP2K is an open source electronic structure and molecular dynamics software package to
perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is …

The global demand for data storage and processing is increasing exponentially. To deal
with this challenge, massive efforts have been devoted to the development of advanced …

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 …

Chalcogenide phase-change materials (PCMs), such as Ge-Sb-Te alloys, have shown
outstanding properties, which has led to their successful use for a long time in optical …

Using compressive mechanical forces, such as pressure, to induce crystallographic phase
transitions and mesostructural changes while modulating material properties in …

Amorphous solids, or glasses, are distinguished from crystalline solids by their lack of long-
range structural order. At the level of two-body structural correlations, glassformers show no …