Understanding the properties of different materials is an important step in material design. X-ray absorption spectroscopy ...

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...

It sounds like something out of science fiction. A material that gets hit, cracked, or bent — and comes out tougher for it.

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials science. However, conventional methods are computationally intensive and ...

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 ...

But recently-graduated RPI materials science Ph.D. student Ru Jia and her lab fellows grew crystals through carbon buffer ...

Scientists have redefined the state-of-the-art in modeling and predicting the free energy of crystals. Their work shows that crystal form stability under real-world temperature and humidity conditions ...

Inorganic crystal materials, for example, may show enormous promise once you first synthesize them, but all this potential could lead nowhere if the crystals don't remain stable; it's no good ...

If you were able to visualize the passage of time, it may appear as looping ribbons of color, these fragments ribboning and ...