The substitution of heteroatoms and the functionalisation of molecules are established strategies in chemical synthesis. They target the precise tuning of the electronic properties of hydrocarbon ...

Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining crystal structures from powder X-ray diffraction ...

Researchers have devised a mathematical approach to predict the structures of crystals -- a critical step in developing many medicines and electronic devices -- in a matter of hours using only a ...

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 ...

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 ...

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 ...

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 ...

Metalworkers and metallurgists have long appreciated the ability to tailor the performance characteristics of steel (an alloy of iron and carbon), including their strength, hardness, ductility and ...

Researchers discovered two new crystals made from water and table salt at low temperatures, below about minus 50 C. The known structure (left) has one salt molecule (yellow and green balls) to two ...

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

The brilliantly shiny diamond is more than just pretty; it's one of the hardest minerals on Earth, with a name derived from the Greek word adámas, meaning unbreakable. Scientists have now engineered a ...

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 ...