Crystal polymorphism, the existence of different crystal structures for the same chemical compound, is a common phenomenon in chemistry. Many compounds are known to form multiple polymorphs depending ...

When synthesizing a material in a particular composition, one wants to confirm whether the intended crystal structure is successfully synthesized as a crystalline phase. An XRD (X-ray diffraction) ...

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 ...

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 ...

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 ...

Crystals reveal the hidden geometry of molecules to the naked eye. Scientists use crystals to figure out the atomic structure of new materials, but many materials can't be grown large enough. Now, a ...

A new artificial intelligence model can predict how atoms arrange themselves in crystal structures. A new artificial intelligence model that can predict how atoms arrange themselves in crystal ...

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

AI method reconstructs missing hydrogen atom positions in crystal databases, enabling faster, more accurate materials ...

Using artificial intelligence to create new things is all the rage right now. Whether you want text, computer code, or images, there are uncountable generative AI models that can oblige. Google ...

An artificial intelligence created by Google DeepMind may help revolutionise materials science, providing new ways to make better batteries, solar panels, computer chips and many more vital ...

What is X-Ray Crystallography? X-ray crystallography is a powerful analytical technique used to determine the atomic and molecular structure of crystalline materials. It involves directing a beam of X ...