The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...

Most solid materials we rely on, from steel, to plastics and ceramics, are designed to have specific properties. Whether a material is soft and flexible, or stiff and tough depends on how molecules ...

Most materials, especially metals and ceramics, are crystals. Their atoms are arranged in three-dimensional lattices that repeat the same exact pattern, over and over again. But there's a well-known ...

Researchers developed a method that gradually adds and removes atoms in simulations, enabling realistic modeling of crystal defects that affect material strength.

When scientists study how materials behave under extreme conditions, they typically examine what happens under compression. But what occurs when you pull matter apart in all directions simultaneously?

The ability to predict crystal structures is a key part of the design of new materials. New research shows that a mathematical algorithm can guarantee to predict the structure of any material just ...

Chemists have developed a generative AI model that can make it much easier to determine the structures of powdered crystal materials. The prediction model could help researchers characterize materials ...

Defect-filled lead-halide perovskites rival silicon solar cells because domain walls inside the material separate and guide charges. Researchers visualized these charge-transport networks using a ...

Google DeepMind researchers have discovered 2.2 million crystal structures that open potential progress in fields from renewable energy to advanced computation, and show the power of artificial ...