Computer simulations and artificial intelligence often make significant errors when predicting the properties of new, ...

The crystal structure prediction revealed that most of the low-energy predicted structures of axitinib are known ...

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 ...

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 ...

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?

University of British Columbia (UBC) scientists have demonstrated a reversible way to switch the topological state of a ...

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 ...

By creating a new graphene material, engineers were able to facilitate the movement of ions and increase the power and energy ...

Developing and manufacturing effective, safe, reliable new drugs or critical new materials for use in semiconductors or applications involving dangerous materials requires many layers of knowledge.

A new study reveals that PtBi2, an otherwise ordinary-looking crystal, hosts an entirely new form of superconductivity ...