Crystal structures are common and familiar to us in substances such as salt, ice and sand. Scientists define them by their regular patterns and symmetry — the way the atoms and molecules are organized ...

These simulations revealed an original structure with small internal tunnels that had never been seen before. This new crystal form, called "Zangenite", could be used to create innovative materials.

Crystal structure prediction (CSP) is typically addressed by combining first-principles calculations with optimization algorithms. For example, ...

We know of around 48,000 inorganic crystal structures, which provide materials with a range of properties. Now, an AI created by Google DeepMind has predicted over 2 million more possibilities ...

For example the crystal structure of a medicine can affect whether the pill you take dissolves in your stomach or not, and the crystal structure in chocolate can significantly affect its taste. These ...

New study shows novel crystal structure for hydrogen under high pressure Date: January 14, 2022 Source: Japan Advanced Institute of Science and Technology ... Carbon, for example, ...

Boron forms compounds with most elements in the Periodic Table and many of these have exceptionally complicated crystal structures, as well as counter-intuitive compositions. For example, YB66 or ...

In one dramatic example of the necessity of predicting crystal structures, scientists in the late 1990s discovered that capsules of the HIV drug ritonavir later transformed from the known crystal ...

“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 ...

Now the crystal structure of TIPE2 reveals that it does not possess a DED, ... For example, caspase-8 was found to interact with TIPE2 by co-immunoprecipitation, ...

For example, when martensite is tempered (heated below A3 temperature) some internal stresses are relieved, and the resulting structure has more ductility than as-quenched martensite.

The X-ray crystal structures of the catalytic domain of human collagenase-3 (MMP-13) and collagenase-1 (MMP-1) with bound inhibitors provides a basis for understanding the selectivity profile of a ...