Crystal polymorphism is critically important in the fields of pharmaceuticals and materials science. For instance, a metastable polymorph of an active pharmaceutical ingredient may benefit from ...

UB chemist Jason Benedict and his team spent years developing photoswitchable crystals. Every crystal’s shape is a mirror of the internal arrangement of their molecules, but the molecules in ...

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?

“Crystal Math” uses equations—and minimal resources—to rapidly predict the 3D structures of molecular crystals, which could speed up R&D for drugs and electronic devices Researchers at New York ...

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...

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 ...

Every crystal's shape is a mirror of the internal arrangement of its molecules, but the molecules in photoswitchable crystals can expand, twist and change properties—from their color to their ...

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 ...

Researchers improved organic solar cell fabrication by controlling molecular assembly, enhancing efficiency and stability, bringing the technology closer to commercial viability. OSCs are a compelling ...

Duplicates of crystal structures are flooding databases, implicating repositories hosting organic, inorganic, and computer-generated crystals. The issue raises questions about curation practices at ...